| .. |
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ASPHERE
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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BODY
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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CLASS2
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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COLLOID
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import changes to various fixes by aidan to include virial contributions
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2017-09-11 22:24:06 -04:00 |
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COMPRESS
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propagate global package installation bugfix to explicit package scripts
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2017-04-07 15:29:56 -04:00 |
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CORESHELL
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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DEPEND
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Fix more typos in src files
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2017-03-07 00:55:01 -05:00 |
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DIPOLE
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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GPU
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remove or reformulate references to USER-CUDA package, which no longer exists
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2018-04-04 11:06:20 -04:00 |
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GRANULAR
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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KIM
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Merge pull request #863 from ellio167/kim-update
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2018-04-13 08:43:56 -06:00 |
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KOKKOS
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Remove unused variables in pair_reaxc_kokkos
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2018-04-05 11:58:47 -06:00 |
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KSPACE
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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LATTE
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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MAKE
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Tweak whitespace in Makefile.kokkos_cuda_mpi
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2018-04-05 11:49:57 -06:00 |
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MANYBODY
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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MC
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Merge pull request #865 from athomps/fix_gcmc_temperature
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2018-04-13 08:44:41 -06:00 |
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MEAM
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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MISC
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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MOLECULE
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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MPIIO
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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MSCG
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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OPT
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cleanup embedded or trailing tabs
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2018-03-16 13:21:54 -04:00 |
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PERI
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avoid division by zero in peri pair styles
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2017-07-18 07:26:45 -04:00 |
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POEMS
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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PYTHON
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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QEQ
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cleanup embedded or trailing tabs
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2018-03-16 13:21:54 -04:00 |
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REAX
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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REPLICA
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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RIGID
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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SHOCK
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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SNAP
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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SRD
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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STUBS
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add support for MPI_Request_free() to MPI STUBS library
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2017-03-17 11:40:09 -04:00 |
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USER-ATC
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add a dependency on PairEAM/MANYBODY for installing USER-ATC
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2018-01-23 16:27:06 +01:00 |
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USER-AWPMD
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correct the inner loop range for resetting cutoffs when redefining a pair style
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2017-05-16 00:26:18 -04:00 |
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USER-CGDNA
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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USER-CGSDK
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avoid division by zero when using cutoff 0.0 with pair_modify shift yes
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2017-07-14 23:33:00 -04:00 |
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USER-COLVARS
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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USER-DIFFRACTION
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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USER-DPD
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Fix compiler warnings
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2018-03-14 13:27:03 -06:00 |
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USER-DRUDE
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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USER-EFF
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correct the inner loop range for resetting cutoffs when redefining a pair style
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2017-05-16 00:26:18 -04:00 |
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USER-FEP
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Moved some stuff around.
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2017-10-26 12:25:55 -04:00 |
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USER-H5MD
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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USER-INTEL
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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USER-LB
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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USER-MANIFOLD
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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USER-MEAMC
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Merge pull request #842 from martok/meamc-bugfix
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2018-03-23 13:40:14 -06:00 |
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USER-MESO
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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USER-MGPT
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new SNAP potential for W
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2017-02-21 15:49:21 -07:00 |
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USER-MISC
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incorporate bugfix for fix ave/correlate/long from jorge ramirez
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2018-04-18 07:26:13 -04:00 |
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USER-MOFFF
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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USER-MOLFILE
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replace non-ASCII character
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2018-02-20 17:18:56 +01:00 |
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USER-NETCDF
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BUG: Dumping to multiple files failed with an error message complaining about a missing 'append yes' option.
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2018-01-28 14:23:05 +01:00 |
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USER-OMP
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cleanup embedded or trailing tabs
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2018-03-16 13:21:54 -04:00 |
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USER-PHONON
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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USER-QMMM
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propagate global package installation bugfix to explicit package scripts
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2017-04-07 15:29:56 -04:00 |
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USER-QTB
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cleanup embedded or trailing tabs
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2018-03-16 13:21:54 -04:00 |
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USER-QUIP
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support QUIP wrapper API version query, relax hybrid restriction to allow hybrid/overlay, update docs
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2017-07-19 13:17:35 -04:00 |
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USER-REAXC
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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USER-SMD
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cleanup embedded or trailing tabs
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2018-03-16 13:21:54 -04:00 |
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USER-SMTBQ
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cleanup embedded or trailing tabs
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2018-03-16 13:21:54 -04:00 |
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USER-SPH
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add error location propagation to force->bounds() and force->boundsbig()
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2016-10-26 15:53:02 -04:00 |
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USER-TALLY
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Add missing header files
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2017-12-01 11:33:42 -07:00 |
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USER-UEF
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make default argument of virtual function Neighbor::build() explicit
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2018-02-22 08:42:36 -05:00 |
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USER-VTK
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add C++ format identifiers to .h files
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2017-06-20 16:18:34 -04:00 |
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VORONOI
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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.gitignore
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refactor code and examples to match LAMMPS conventions. whitespace cleanup. shorten examples.
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2018-03-22 19:31:41 -04:00 |
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Depend.sh
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Add Kokkos versions of pair_style snap and zbl
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2018-01-09 17:03:49 -07:00 |
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Install.sh
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address issue where uninstalling an empty package will erase all code in src
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2017-04-06 11:08:57 -04:00 |
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Make.sh
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restore locale and enforce grep option squashing
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2016-09-09 15:42:14 -04:00 |
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Makefile
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Add make package-installed command
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2018-03-01 10:39:06 -07:00 |
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Makefile.list
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remove pair_zhou from Makefile.list
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2017-03-18 20:48:49 -04:00 |
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Makefile.package.empty
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13579 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-07-14 17:39:05 +00:00 |
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Makefile.package.settings.empty
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…
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Package.sh
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Add make package-installed command
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2018-03-01 10:39:06 -07:00 |
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Purge.list
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purge deleted file in KIM package
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2018-04-04 13:24:05 -04:00 |
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accelerator_kokkos.h
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Fix compiler warnings
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2018-03-14 13:27:03 -06:00 |
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accelerator_omp.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11285 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-21 22:09:05 +00:00 |
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angle.cpp
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Adding alloc flag to ev_setup
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2017-03-08 12:36:23 -07:00 |
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angle.h
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Adding alloc flag to ev_setup
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2017-03-08 12:36:23 -07:00 |
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angle_hybrid.cpp
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sync GHub with SVN
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2017-01-26 14:06:43 -07:00 |
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angle_hybrid.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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angle_zero.cpp
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add error location propagation to force->bounds() and force->boundsbig()
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2016-10-26 15:53:02 -04:00 |
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angle_zero.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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atom.cpp
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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atom.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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atom_map.cpp
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avoid segfault when using a hash as map on an empty system
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2018-02-10 20:40:02 +01:00 |
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atom_map.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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atom_masks.h
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Updates to Kokkos files
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2016-12-15 11:18:50 -07:00 |
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atom_vec.cpp
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remove tab char
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2018-02-01 18:19:37 +01:00 |
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atom_vec.h
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modifications to correctly print modified dihedrals, impropers
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2018-01-22 23:56:11 -07:00 |
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atom_vec_atomic.cpp
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fix spring doc page update
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2017-01-17 09:02:56 -07:00 |
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atom_vec_atomic.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-21 17:09:24 +00:00 |
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atom_vec_body.cpp
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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atom_vec_body.h
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whitespace cleanup
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2018-03-15 21:57:45 -04:00 |
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atom_vec_charge.cpp
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fix spring doc page update
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2017-01-17 09:02:56 -07:00 |
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atom_vec_charge.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-21 17:09:24 +00:00 |
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atom_vec_ellipsoid.cpp
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fix spring doc page update
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2017-01-17 09:02:56 -07:00 |
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atom_vec_ellipsoid.h
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remove executable permissions on non-executables and non-scripts
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2016-09-08 14:45:07 -04:00 |
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atom_vec_hybrid.cpp
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Fix more typos in src files
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2017-03-07 00:55:01 -05:00 |
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atom_vec_hybrid.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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atom_vec_line.cpp
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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atom_vec_line.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14480 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-01-23 00:49:16 +00:00 |
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atom_vec_sphere.cpp
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fix spring doc page update
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2017-01-17 09:02:56 -07:00 |
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atom_vec_sphere.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-21 17:09:24 +00:00 |
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atom_vec_tri.cpp
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fix spring doc page update
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2017-01-17 09:02:56 -07:00 |
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atom_vec_tri.h
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Fix typos in src files
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2017-03-05 21:03:40 -05:00 |
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balance.cpp
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fix bug reported in issue #851
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2018-03-26 11:51:00 -04:00 |
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balance.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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body.cpp
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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body.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14421 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-01-11 22:00:29 +00:00 |
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bond.cpp
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Made fix adapt work with bond_harmonic.
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2017-04-04 12:35:26 -04:00 |
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bond.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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bond_hybrid.cpp
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sync GHub with SVN
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2017-01-26 14:06:43 -07:00 |
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bond_hybrid.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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bond_zero.cpp
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add error location propagation to force->bounds() and force->boundsbig()
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2016-10-26 15:53:02 -04:00 |
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bond_zero.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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change_box.cpp
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add rigid body overlap warnings to change_box and delete_atoms
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2017-06-13 16:26:49 -04:00 |
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change_box.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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citeme.cpp
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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citeme.h
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Spelling fixes in source files
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2017-03-05 18:30:39 -05:00 |
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comm.cpp
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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comm.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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comm_brick.cpp
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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comm_brick.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15187 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-06-17 17:39:55 +00:00 |
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comm_tiled.cpp
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remove dead code and reduce trivial compiler warnings (clang++)
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2017-03-27 14:28:50 -04:00 |
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comm_tiled.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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compute.cpp
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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compute.h
|
new dump_modify refresh and compute displace/atom refresh commands for incremental dump files
|
2018-03-27 14:37:04 -06:00 |
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compute_aggregate_atom.cpp
|
Merge pull request #728 from danicholson/cluster-fragment-aggregate-fixes
|
2018-03-02 15:52:26 -07:00 |
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compute_aggregate_atom.h
|
add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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compute_angle.cpp
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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compute_angle.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
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compute_angle_local.cpp
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
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compute_angle_local.h
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
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compute_angmom_chunk.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:02 -04:00 |
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compute_angmom_chunk.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13286 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-25 15:50:57 +00:00 |
|
compute_bond.cpp
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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compute_bond.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_bond_local.cpp
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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compute_bond_local.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_centro_atom.cpp
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
|
compute_centro_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_chunk_atom.cpp
|
Fixed pbc wrapping in case of spherical bins
|
2018-03-21 21:20:15 +03:00 |
|
compute_chunk_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_cluster_atom.cpp
|
Moved rerun bug fix to individual affected styles
|
2017-11-14 14:01:07 -05:00 |
|
compute_cluster_atom.h
|
add new compute fragment/atom
|
2017-08-18 19:07:32 -04:00 |
|
compute_cna_atom.cpp
|
make certain class member list is initialized to NULL before assigned to a neighbor list
|
2017-06-20 16:09:11 -04:00 |
|
compute_cna_atom.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_com.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15100 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-02 14:08:20 +00:00 |
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compute_com.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
compute_com_chunk.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:02 -04:00 |
|
compute_com_chunk.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15170 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-14 22:14:34 +00:00 |
|
compute_contact_atom.cpp
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
compute_contact_atom.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_coord_atom.cpp
|
remove unused variable
|
2017-01-25 15:40:52 -07:00 |
|
compute_coord_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_dihedral.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
compute_dihedral.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_dihedral_local.cpp
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
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compute_dihedral_local.h
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
compute_dipole_chunk.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
compute_dipole_chunk.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14860 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-04-22 15:55:54 +00:00 |
|
compute_displace_atom.cpp
|
new dump_modify refresh and compute displace/atom refresh commands for incremental dump files
|
2018-03-27 14:37:04 -06:00 |
|
compute_displace_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_erotate_sphere.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
compute_erotate_sphere.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
compute_erotate_sphere_atom.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:03 -04:00 |
|
compute_erotate_sphere_atom.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
compute_fragment_atom.cpp
|
Reverse communication compute fragment/aggregate
|
2017-11-12 15:57:02 -05:00 |
|
compute_fragment_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_global_atom.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
compute_global_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_group_group.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
compute_group_group.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_gyration.cpp
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
|
compute_gyration.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
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compute_gyration_chunk.cpp
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
|
compute_gyration_chunk.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-23 23:30:50 +00:00 |
|
compute_heat_flux.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:03 -04:00 |
|
compute_heat_flux.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
compute_hexorder_atom.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
compute_hexorder_atom.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_improper.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
compute_improper.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_improper_local.cpp
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
compute_improper_local.h
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
compute_inertia_chunk.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:03 -04:00 |
|
compute_inertia_chunk.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-23 23:30:50 +00:00 |
|
compute_ke.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
compute_ke.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
compute_ke_atom.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:03 -04:00 |
|
compute_ke_atom.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
compute_msd.cpp
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
compute_msd.h
|
Added average keyword
|
2015-12-02 05:06:52 +00:00 |
|
compute_msd_chunk.cpp
|
disable disruptive debug output
|
2017-12-01 17:14:11 -05:00 |
|
compute_msd_chunk.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-02-15 15:26:57 +00:00 |
|
compute_omega_chunk.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
compute_omega_chunk.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_orientorder_atom.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
compute_orientorder_atom.h
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
compute_pair.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:03 -04:00 |
|
compute_pair.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_pair_local.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
compute_pair_local.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_pe.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15291 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-07-12 22:59:27 +00:00 |
|
compute_pe.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15291 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-07-12 22:59:27 +00:00 |
|
compute_pe_atom.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
compute_pe_atom.h
|
remove executable permissions on non-executables and non-scripts
|
2016-09-08 14:45:07 -04:00 |
|
compute_pressure.cpp
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
compute_pressure.h
|
initial import of adapted gREM code by David Stelter and Edyta Malolepsza
|
2016-11-13 18:44:10 -05:00 |
|
compute_property_atom.cpp
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
compute_property_atom.h
|
remove vector/array class members shadowing the base class
|
2016-08-30 07:04:54 -04:00 |
|
compute_property_chunk.cpp
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
compute_property_chunk.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_property_local.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
compute_property_local.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_rdf.cpp
|
Use multiple inheritance to remove accelerator_kokkos.h out of pair.h
|
2017-12-01 09:51:40 -07:00 |
|
compute_rdf.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_reduce.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
compute_reduce.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-23 23:30:50 +00:00 |
|
compute_reduce_region.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-05-31 16:33:07 +00:00 |
|
compute_reduce_region.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
compute_slice.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
compute_slice.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_stress_atom.cpp
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
compute_stress_atom.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-23 23:30:50 +00:00 |
|
compute_temp.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
compute_temp.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-02-15 15:26:57 +00:00 |
|
compute_temp_chunk.cpp
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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compute_temp_chunk.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-02-15 15:26:57 +00:00 |
|
compute_temp_com.cpp
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_com.h
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_deform.cpp
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_deform.h
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_partial.cpp
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_partial.h
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_profile.cpp
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_profile.h
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_ramp.cpp
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_ramp.h
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_region.cpp
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_region.h
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_sphere.cpp
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_temp_sphere.h
|
port thread-safe temperature biasing from LAMMPS-ICMS
|
2017-05-16 18:15:13 -04:00 |
|
compute_torque_chunk.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:04 -04:00 |
|
compute_torque_chunk.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-23 23:30:50 +00:00 |
|
compute_vacf.cpp
|
replace leading tabs
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2018-03-16 12:34:33 -04:00 |
|
compute_vacf.h
|
remove executable permissions on non-executables and non-scripts
|
2016-09-08 14:45:07 -04:00 |
|
compute_vcm_chunk.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:04 -04:00 |
|
compute_vcm_chunk.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-23 23:30:50 +00:00 |
|
create_atoms.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
create_atoms.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
create_bonds.cpp
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
|
create_bonds.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
create_box.cpp
|
make certain, that atom->maxspecial is incremented with extra special space
|
2016-10-21 11:55:36 -04:00 |
|
create_box.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
delete_atoms.cpp
|
new reset_ids command and dump_modify delay option
|
2018-03-28 11:31:35 -06:00 |
|
delete_atoms.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
delete_bonds.cpp
|
add error location propagation to force->bounds() and force->boundsbig()
|
2016-10-26 15:53:02 -04:00 |
|
delete_bonds.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
dihedral.cpp
|
Adding alloc flag to ev_setup
|
2017-03-08 12:36:23 -07:00 |
|
dihedral.h
|
Adding alloc flag to ev_setup
|
2017-03-08 12:36:23 -07:00 |
|
dihedral_hybrid.cpp
|
sync GHub with SVN
|
2017-01-26 14:06:43 -07:00 |
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dihedral_hybrid.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
dihedral_zero.cpp
|
add error location propagation to force->bounds() and force->boundsbig()
|
2016-10-26 15:53:02 -04:00 |
|
dihedral_zero.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
displace_atoms.cpp
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
|
displace_atoms.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
domain.cpp
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
|
domain.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
dump.cpp
|
Merge branch 'master' into resetids
|
2018-03-30 09:15:24 -06:00 |
|
dump.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
dump_atom.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15428 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-08-03 16:29:35 +00:00 |
|
dump_atom.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
dump_cfg.cpp
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
dump_cfg.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
dump_custom.cpp
|
new dump_modify refresh and compute displace/atom refresh commands for incremental dump files
|
2018-03-27 14:37:04 -06:00 |
|
dump_custom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
dump_dcd.cpp
|
NULLing ptrs in comm_brick and dump*.cpp
|
2016-11-07 15:50:18 +01:00 |
|
dump_dcd.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14602 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-02-15 16:10:43 +00:00 |
|
dump_image.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
dump_image.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
dump_local.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
dump_local.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
dump_movie.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
dump_movie.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11380 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-01-29 18:59:46 +00:00 |
|
dump_xyz.cpp
|
NULLing ptrs in comm_brick and dump*.cpp
|
2016-11-07 15:50:18 +01:00 |
|
dump_xyz.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
error.cpp
|
provide last input command line with error->one() output
|
2017-11-06 10:41:01 -05:00 |
|
error.h
|
Make exceptions control flow and functions optional
|
2016-09-16 18:57:37 -04:00 |
|
exceptions.h
|
Make exceptions control flow and functions optional
|
2016-09-16 18:57:37 -04:00 |
|
finish.cpp
|
more meaningful output for electron units. fix bug in time unit to fs conversion
|
2018-03-21 20:12:14 -04:00 |
|
finish.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix.cpp
|
2nd try on LATTE error returns, plus a couple minor doc edits
|
2018-02-20 12:52:12 -07:00 |
|
fix.h
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
fix_adapt.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_adapt.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_addforce.cpp
|
one more file that doesn't require to include accelerator_kokkos.h
|
2017-12-01 16:45:22 -05:00 |
|
fix_addforce.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
fix_ave_atom.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_ave_atom.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
fix_ave_chunk.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_ave_chunk.h
|
changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution
|
2017-03-21 08:56:37 -06:00 |
|
fix_ave_correlate.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_ave_correlate.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_ave_histo.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_ave_histo.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_ave_histo_weight.cpp
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
fix_ave_histo_weight.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_ave_time.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_ave_time.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_aveforce.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_aveforce.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
fix_balance.cpp
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
|
fix_balance.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_box_relax.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_box_relax.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_controller.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_controller.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_deform.cpp
|
add restart support to fix deform. only "initial" data is restored and some consistency check performed
|
2017-06-10 17:28:17 -04:00 |
|
fix_deform.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_deprecated.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-06 23:21:39 +00:00 |
|
fix_deprecated.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_drag.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
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fix_drag.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
fix_dt_reset.cpp
|
enable dynamic groups for fix dt/reset
|
2016-09-30 09:09:44 -04:00 |
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fix_dt_reset.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_enforce2d.cpp
|
fix enforce2d has to be defined after fixes with enforce2d_flag set
|
2017-07-12 11:26:16 -04:00 |
|
fix_enforce2d.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_external.cpp
|
fix external only needs to collect virial in case it is requested
|
2017-09-17 23:59:34 -04:00 |
|
fix_external.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_gravity.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_gravity.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
fix_group.cpp
|
replace leading tabs
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2018-03-16 12:34:33 -04:00 |
|
fix_group.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
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fix_halt.cpp
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
|
fix_halt.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_heat.cpp
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
fix_heat.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_indent.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_indent.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
fix_langevin.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_langevin.h
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
fix_lineforce.cpp
|
enable support for dynamic groups in fix planeforce and fix lineforce
|
2017-06-02 08:45:15 -04:00 |
|
fix_lineforce.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_minimize.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_minimize.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_momentum.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15089 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-05-31 16:50:28 +00:00 |
|
fix_momentum.h
|
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
|
2017-03-23 15:31:27 -06:00 |
|
fix_move.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_move.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_neigh_history.cpp
|
different bug fix for create_bonds, delete_atoms neigh list issue
|
2018-01-16 11:32:37 -07:00 |
|
fix_neigh_history.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_nh.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_nh.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_nh_sphere.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_nh_sphere.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_nph.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-06 23:21:39 +00:00 |
|
fix_nph.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_nph_sphere.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-06 23:21:39 +00:00 |
|
fix_nph_sphere.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_npt.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-06 23:21:39 +00:00 |
|
fix_npt.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_npt_sphere.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-06 23:21:39 +00:00 |
|
fix_npt_sphere.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_nve.cpp
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
fix_nve.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_nve_limit.cpp
|
allow dynamics groups for fix nve/limit and fix temp/rescale
|
2018-02-15 05:17:15 -05:00 |
|
fix_nve_limit.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-02-15 15:26:57 +00:00 |
|
fix_nve_noforce.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
fix_nve_noforce.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_nve_sphere.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_nve_sphere.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_nvt.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-06 23:21:39 +00:00 |
|
fix_nvt.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_nvt_sllod.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-06 23:21:39 +00:00 |
|
fix_nvt_sllod.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_nvt_sphere.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-06 23:21:39 +00:00 |
|
fix_nvt_sphere.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_planeforce.cpp
|
enable support for dynamic groups in fix planeforce and fix lineforce
|
2017-06-02 08:45:15 -04:00 |
|
fix_planeforce.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_press_berendsen.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_press_berendsen.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_print.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_print.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
fix_property_atom.cpp
|
Fix bug in fix_property_atom
|
2018-01-17 10:41:56 -07:00 |
|
fix_property_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_read_restart.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_read_restart.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_recenter.cpp
|
bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with restarting
|
2016-10-13 16:55:53 -06:00 |
|
fix_recenter.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-12-02 02:15:39 +00:00 |
|
fix_respa.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_respa.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13757 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-28 16:04:10 +00:00 |
|
fix_restrain.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_restrain.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
fix_setforce.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_setforce.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
fix_spring.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_spring.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
fix_spring_chunk.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_spring_chunk.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_spring_rg.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
fix_spring_rg.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
fix_spring_self.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_spring_self.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
fix_store.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_store.h
|
sync with SVN
|
2016-09-23 14:52:45 -06:00 |
|
fix_store_force.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_store_force.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_store_state.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_store_state.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14423 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-01-11 23:38:16 +00:00 |
|
fix_temp_berendsen.cpp
|
apply the rigid body checks to some more example codes
|
2017-06-05 16:30:30 -04:00 |
|
fix_temp_berendsen.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_temp_csld.cpp
|
apply the rigid body checks to some more example codes
|
2017-06-05 16:30:30 -04:00 |
|
fix_temp_csld.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_temp_csvr.cpp
|
make certain, that -log() doesn't overflow and assign a suitable maximum number instead.
|
2016-09-15 14:55:32 -04:00 |
|
fix_temp_csvr.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14582 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-02-08 16:18:20 +00:00 |
|
fix_temp_rescale.cpp
|
allow dynamics groups for fix nve/limit and fix temp/rescale
|
2018-02-15 05:17:15 -05:00 |
|
fix_temp_rescale.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8438 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-06-29 21:10:03 +00:00 |
|
fix_tmd.cpp
|
correct logic bug in bufix for fix tmd
|
2016-10-01 06:26:52 -04:00 |
|
fix_tmd.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_vector.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
fix_vector.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_viscous.cpp
|
allow fix viscous to be used with dynamic groups
|
2017-09-18 18:08:57 -04:00 |
|
fix_viscous.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
fix_wall.cpp
|
import changes to various fixes by aidan to include virial contributions
|
2017-09-11 22:24:06 -04:00 |
|
fix_wall.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
fix_wall_harmonic.cpp
|
allow dynamic groups for some standard walls interacting with point particles
|
2018-02-24 13:50:42 -05:00 |
|
fix_wall_harmonic.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11393 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-01-30 18:30:18 +00:00 |
|
fix_wall_lj93.cpp
|
allow dynamic groups for some standard walls interacting with point particles
|
2018-02-24 13:50:42 -05:00 |
|
fix_wall_lj93.h
|
Adding fix_wall_lj93_kokkos
|
2017-03-02 14:02:49 -07:00 |
|
fix_wall_lj126.cpp
|
allow dynamic groups for some standard walls interacting with point particles
|
2018-02-24 13:50:42 -05:00 |
|
fix_wall_lj126.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_wall_lj1043.cpp
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
fix_wall_lj1043.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
fix_wall_reflect.cpp
|
allow dynamic groups for some standard walls interacting with point particles
|
2018-02-24 13:50:42 -05:00 |
|
fix_wall_reflect.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
fix_wall_region.cpp
|
allow dynamic groups for some standard walls interacting with point particles
|
2018-02-24 13:50:42 -05:00 |
|
fix_wall_region.h
|
import changes to various fixes by aidan to include virial contributions
|
2017-09-11 22:24:06 -04:00 |
|
force.cpp
|
print error message when a pair style was not re-specified after reading a restart
|
2018-03-19 18:05:47 -04:00 |
|
force.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
group.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
group.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
image.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
image.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
imbalance.cpp
|
new verion of balance weighting
|
2016-09-23 14:37:53 -06:00 |
|
imbalance.h
|
adjustments to balancing weights and factors, also XOR op for formulas, if, dump_modify thresh
|
2016-10-05 15:46:20 -06:00 |
|
imbalance_group.cpp
|
changes to imbalance weight factors
|
2016-10-05 10:33:39 -06:00 |
|
imbalance_group.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
imbalance_neigh.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
imbalance_neigh.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
imbalance_store.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
imbalance_store.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
imbalance_time.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
imbalance_time.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
imbalance_var.cpp
|
adjustments to balancing weights and factors, also XOR op for formulas, if, dump_modify thresh
|
2016-10-05 15:46:20 -06:00 |
|
imbalance_var.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
improper.cpp
|
Adding alloc flag to ev_setup
|
2017-03-08 12:36:23 -07:00 |
|
improper.h
|
Adding alloc flag to ev_setup
|
2017-03-08 12:36:23 -07:00 |
|
improper_hybrid.cpp
|
sync GHub with SVN
|
2017-01-26 14:06:43 -07:00 |
|
improper_hybrid.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
improper_zero.cpp
|
add error location propagation to force->bounds() and force->boundsbig()
|
2016-10-26 15:53:02 -04:00 |
|
improper_zero.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
info.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
info.h
|
provide an accessor for names of LAMMPS variables
|
2016-10-17 19:56:18 -04:00 |
|
input.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
input.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
integrate.cpp
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
integrate.h
|
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
|
2018-02-22 07:53:58 -05:00 |
|
irregular.cpp
|
minor changes to NEB doc pages and examples
|
2017-06-20 08:19:23 -06:00 |
|
irregular.h
|
make pre-processor defines for using libc's qsort() consistent
|
2017-06-20 17:13:42 -04:00 |
|
kspace.cpp
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
kspace.h
|
cleanup embedded or trailing tabs
|
2018-03-16 13:21:54 -04:00 |
|
lammps.cpp
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
lammps.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
lattice.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15157 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-08 15:41:04 +00:00 |
|
lattice.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 14:59:20 +00:00 |
|
library.cpp
|
Merge pull request #850 from lammps/addlib
|
2018-03-27 14:39:16 -06:00 |
|
library.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
lmptype.h
|
Fix more typos in src files
|
2017-03-07 00:55:01 -05:00 |
|
lmpwindows.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
main.cpp
|
fix linker error bug with fftw3 and -DFFT_SINGLE
|
2018-03-21 12:13:09 -04:00 |
|
math_complex.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 14:59:20 +00:00 |
|
math_const.h
|
comm tiled bug fix
|
2016-09-16 10:31:52 -06:00 |
|
math_extra.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
math_extra.h
|
whitespace cleanup
|
2018-03-15 21:57:45 -04:00 |
|
math_special.cpp
|
MathSpecial::fm_exp: fix return value on ppc64
|
2018-03-28 11:51:04 -06:00 |
|
math_special.h
|
Improve C++-ness, eliminate some macros
|
2017-06-11 16:55:41 +02:00 |
|
math_vector.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
memory.cpp
|
restore change to make -DLAMMPS_MEMALIGN=64 default when USER-INTEL package is installed (which requires it)
|
2016-12-14 15:24:55 -05:00 |
|
memory.h
|
Make memory_kokkos its own class
|
2017-12-01 09:13:31 -07:00 |
|
mergesort.h
|
remove ifdefs for selecting between plain and hybrid merge sort. use hybrid only.
|
2017-06-17 09:30:41 -04:00 |
|
min.cpp
|
make default argument of virtual function Neighbor::build() explicit
|
2018-02-22 08:42:36 -05:00 |
|
min.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
min_cg.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
min_cg.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 14:59:20 +00:00 |
|
min_fire.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
min_fire.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 14:59:20 +00:00 |
|
min_hftn.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-08-10 14:59:04 +00:00 |
|
min_hftn.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15393 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-07-29 14:28:58 +00:00 |
|
min_linesearch.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
min_linesearch.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 14:59:20 +00:00 |
|
min_quickmin.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
min_quickmin.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 14:59:20 +00:00 |
|
min_sd.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
min_sd.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-07-30 14:59:20 +00:00 |
|
minimize.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 23:48:15 +00:00 |
|
minimize.h
|
Adding error checks for Kokkos-incompatible features
|
2016-01-28 23:32:16 +00:00 |
|
modify.cpp
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
modify.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
molecule.cpp
|
correctly represent, that the molecule summary refers to the largest type number and not the number of types
|
2018-02-11 16:17:24 +01:00 |
|
molecule.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
mpiio.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-02-17 15:56:48 +00:00 |
|
my_page.h
|
fixed bug with pair hybrid/overaly and manybody potentials finding the right skip neighbor method
|
2016-12-21 09:50:29 -07:00 |
|
my_pool_chunk.h
|
extra python_wrapper change needed for last patch
|
2016-12-16 11:35:42 -07:00 |
|
nbin.cpp
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
nbin.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
nbin_standard.cpp
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
nbin_standard.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
neigh_list.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
neigh_list.h
|
Remove the now unused AIRct_ssa[] array from the NeighList class.
|
2017-11-03 13:42:36 -05:00 |
|
neigh_request.cpp
|
remove faulty line of code, left in by accident
|
2018-01-16 14:10:46 -05:00 |
|
neigh_request.h
|
whitespace cleanup
|
2018-03-15 21:57:45 -04:00 |
|
neighbor.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
neighbor.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair.cpp
|
Fix issues in Kokkos npair_halffull and npair_skip
|
2018-01-13 21:32:59 -07:00 |
|
npair.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_copy.cpp
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
npair_copy.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_full_bin.cpp
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
npair_full_bin.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_full_bin_atomonly.cpp
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
npair_full_bin_atomonly.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_full_bin_ghost.cpp
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
npair_full_bin_ghost.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_full_multi.cpp
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
npair_full_multi.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_full_nsq.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_full_nsq.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_full_nsq_ghost.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_full_nsq_ghost.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_bin_atomonly_newton.cpp
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
npair_half_bin_atomonly_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_bin_newtoff.cpp
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
npair_half_bin_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_bin_newtoff_ghost.cpp
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
npair_half_bin_newtoff_ghost.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_bin_newton.cpp
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
npair_half_bin_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_bin_newton_tri.cpp
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
npair_half_bin_newton_tri.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_multi_newtoff.cpp
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
npair_half_multi_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_multi_newton.cpp
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
npair_half_multi_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_multi_newton_tri.cpp
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
npair_half_multi_newton_tri.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_nsq_newtoff.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_nsq_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_nsq_newtoff_ghost.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_nsq_newtoff_ghost.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_nsq_newton.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_nsq_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_respa_bin_newtoff.cpp
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
npair_half_respa_bin_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_respa_bin_newton.cpp
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
npair_half_respa_bin_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_respa_bin_newton_tri.cpp
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
npair_half_respa_bin_newton_tri.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_respa_nsq_newtoff.cpp
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
npair_half_respa_nsq_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_respa_nsq_newton.cpp
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
npair_half_respa_nsq_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_size_bin_newtoff.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
npair_half_size_bin_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_size_bin_newton.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
npair_half_size_bin_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_size_bin_newton_tri.cpp
|
remove dead code in various neighbor list related source files
|
2018-02-08 13:07:56 -05:00 |
|
npair_half_size_bin_newton_tri.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_size_nsq_newtoff.cpp
|
remove dead code in various neighbor list related source files
|
2018-02-08 13:07:56 -05:00 |
|
npair_half_size_nsq_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_size_nsq_newton.cpp
|
remove dead code in various neighbor list related source files
|
2018-02-08 13:07:56 -05:00 |
|
npair_half_size_nsq_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_halffull_newtoff.cpp
|
Tweak to npair_halffull_newtoff.cpp
|
2018-01-16 16:43:25 -07:00 |
|
npair_halffull_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_halffull_newton.cpp
|
Only include ghosts for newton off, since this style exists as a standalone build, but the newton on method doesn't
|
2018-01-12 16:10:42 -07:00 |
|
npair_halffull_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_skip.cpp
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
npair_skip.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_skip_respa.cpp
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
npair_skip_respa.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_skip_size.cpp
|
remove dead code in various neighbor list related source files
|
2018-02-08 13:07:56 -05:00 |
|
npair_skip_size.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_skip_size_off2on.cpp
|
remove dead code in various neighbor list related source files
|
2018-02-08 13:07:56 -05:00 |
|
npair_skip_size_off2on.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_skip_size_off2on_oneside.cpp
|
remove dead code in various neighbor list related source files
|
2018-02-08 13:07:56 -05:00 |
|
npair_skip_size_off2on_oneside.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
nstencil.cpp
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
nstencil.h
|
USER-DPD: SSA with Kokkos: make stencil's sx, sy, sz variables public
|
2017-02-22 15:08:21 -05:00 |
|
nstencil_full_bin_2d.cpp
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
nstencil_full_bin_2d.h
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
nstencil_full_bin_3d.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_full_bin_3d.h
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
nstencil_full_ghost_bin_2d.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_full_ghost_bin_2d.h
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
nstencil_full_ghost_bin_3d.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_full_ghost_bin_3d.h
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
nstencil_full_multi_2d.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_full_multi_2d.h
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
nstencil_full_multi_3d.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_full_multi_3d.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_bin_2d_newtoff.cpp
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
nstencil_half_bin_2d_newtoff.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_bin_2d_newton.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_bin_2d_newton.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_bin_2d_newton_tri.cpp
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
nstencil_half_bin_2d_newton_tri.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_bin_3d_newtoff.cpp
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
nstencil_half_bin_3d_newtoff.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_bin_3d_newton.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_bin_3d_newton.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_bin_3d_newton_tri.cpp
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
nstencil_half_bin_3d_newton_tri.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_ghost_bin_2d_newtoff.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_ghost_bin_2d_newtoff.h
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
nstencil_half_ghost_bin_3d_newtoff.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_ghost_bin_3d_newtoff.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_multi_2d_newtoff.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_multi_2d_newtoff.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_multi_2d_newton.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_multi_2d_newton.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_multi_2d_newton_tri.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_multi_2d_newton_tri.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_multi_3d_newtoff.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_multi_3d_newtoff.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_multi_3d_newton.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_multi_3d_newton.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_multi_3d_newton_tri.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_multi_3d_newton_tri.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_angle_all.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_angle_all.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_angle_partial.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_angle_partial.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_angle_template.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_angle_template.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_bond_all.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_bond_all.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_bond_partial.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_bond_partial.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_bond_template.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_bond_template.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_dihedral_all.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_dihedral_all.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_dihedral_partial.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
ntopo_dihedral_partial.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_dihedral_template.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
ntopo_dihedral_template.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_improper_all.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_improper_all.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_improper_partial.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
ntopo_improper_partial.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_improper_template.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
ntopo_improper_template.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
output.cpp
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
output.h
|
fix gcmc updates from Aidan, trimming of output for replica commands
|
2017-04-11 08:35:09 -06:00 |
|
pack.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-06-06 22:47:51 +00:00 |
|
pair.cpp
|
abort with an error when a pair style incorrectly advertises a restart ability
|
2018-03-19 18:25:18 -04:00 |
|
pair.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
pair_beck.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_beck.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-06-06 22:47:51 +00:00 |
|
pair_born.cpp
|
avoid division by zero when using cutoff 0.0 with pair_modify shift yes
|
2017-07-14 23:33:00 -04:00 |
|
pair_born.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_born_coul_dsf.cpp
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
pair_born_coul_dsf.h
|
pair style born/coul/dsf added with its coreshell version
|
2016-11-08 11:32:38 +01:00 |
|
pair_born_coul_wolf.cpp
|
avoid division by zero when using cutoff 0.0 with pair_modify shift yes
|
2017-07-14 23:33:00 -04:00 |
|
pair_born_coul_wolf.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11044 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-11-22 17:14:39 +00:00 |
|
pair_buck.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
pair_buck.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13058 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-02-04 22:14:27 +00:00 |
|
pair_buck_coul_cut.cpp
|
avoid division by zero when using cutoff 0.0 with pair_modify shift yes
|
2017-07-14 23:33:00 -04:00 |
|
pair_buck_coul_cut.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-27 13:41:29 +00:00 |
|
pair_coul_cut.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_coul_cut.h
|
Fixing a few bugs in Kokkos
|
2015-02-23 23:45:29 +00:00 |
|
pair_coul_debye.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_coul_debye.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_coul_dsf.cpp
|
add error location propagation to force->bounds() and force->boundsbig()
|
2016-10-26 15:53:02 -04:00 |
|
pair_coul_dsf.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
pair_coul_streitz.cpp
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
pair_coul_streitz.h
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
pair_coul_wolf.cpp
|
add error location propagation to force->bounds() and force->boundsbig()
|
2016-10-26 15:53:02 -04:00 |
|
pair_coul_wolf.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2012-06-06 22:47:51 +00:00 |
|
pair_dpd.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_dpd.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_dpd_tstat.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_dpd_tstat.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_gauss.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_gauss.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
pair_hybrid.cpp
|
Error out if using pair hybrid with Kokkos, but not pair hybrid/overlay
|
2017-08-25 15:16:19 -06:00 |
|
pair_hybrid.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
pair_hybrid_overlay.cpp
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
pair_hybrid_overlay.h
|
Merge branch 'master' into USER-DPD_kokkos as of patch 21Feb17
|
2017-02-22 11:29:01 -05:00 |
|
pair_lj96_cut.cpp
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
pair_lj96_cut.h
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
pair_lj_cubic.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_lj_cubic.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_lj_cut.cpp
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
pair_lj_cut.h
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
pair_lj_cut_coul_cut.cpp
|
avoid division by zero when using cutoff 0.0 with pair_modify shift yes
|
2017-07-14 23:33:00 -04:00 |
|
pair_lj_cut_coul_cut.h
|
Fixing a few bugs in Kokkos
|
2015-02-23 23:45:29 +00:00 |
|
pair_lj_cut_coul_debye.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
pair_lj_cut_coul_debye.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_lj_cut_coul_dsf.cpp
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
pair_lj_cut_coul_dsf.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
pair_lj_cut_coul_wolf.cpp
|
Fix compiler warnings
|
2018-03-14 13:27:03 -06:00 |
|
pair_lj_cut_coul_wolf.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
pair_lj_expand.cpp
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
pair_lj_expand.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-27 13:41:29 +00:00 |
|
pair_lj_gromacs.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_lj_gromacs.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-27 13:41:29 +00:00 |
|
pair_lj_gromacs_coul_gromacs.cpp
|
add error location propagation to force->bounds() and force->boundsbig()
|
2016-10-26 15:53:02 -04:00 |
|
pair_lj_gromacs_coul_gromacs.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13303 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-27 13:41:29 +00:00 |
|
pair_lj_smooth.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_lj_smooth.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_lj_smooth_linear.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_lj_smooth_linear.h
|
alias pair style lj/sf to lj/smooth/linear and remove/update related files
|
2017-06-06 17:26:06 -04:00 |
|
pair_mie_cut.cpp
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
pair_mie_cut.h
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
pair_morse.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
pair_morse.h
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
pair_soft.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_soft.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
pair_table.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
pair_table.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
pair_ufm.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
pair_ufm.h
|
whitespace cleanup
|
2018-03-15 21:57:45 -04:00 |
|
pair_yukawa.cpp
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Undid the removal of rad in pair_yukawa.
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2017-11-17 15:07:59 -05:00 |
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pair_yukawa.h
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Undid the removal of rad in pair_yukawa.
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2017-11-17 15:07:59 -05:00 |
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pair_zbl.cpp
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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pair_zbl.h
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Add Kokkos versions of pair_style snap and zbl
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2018-01-09 17:03:49 -07:00 |
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pair_zero.cpp
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add error location propagation to force->bounds() and force->boundsbig()
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2016-10-26 15:53:02 -04:00 |
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pair_zero.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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pointers.h
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Make memory_kokkos its own class
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2017-12-01 09:13:31 -07:00 |
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procmap.cpp
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Spelling fixes in source files
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2017-03-05 18:30:39 -05:00 |
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procmap.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-21 17:09:24 +00:00 |
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python.cpp
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implement functions to execute arbitrary python code from strings or files and recast the python source keyword through using them.
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2017-05-11 22:39:08 -04:00 |
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python.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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random_mars.cpp
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NULLed ptrs in files
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2016-11-07 16:07:37 +01:00 |
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random_mars.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-21 17:09:24 +00:00 |
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random_park.cpp
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-06-17 23:48:15 +00:00 |
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random_park.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14860 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-22 15:55:54 +00:00 |
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rcb.cpp
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replace leading tabs
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2018-03-16 12:34:33 -04:00 |
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rcb.h
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whitespace cleanup
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2018-03-15 21:57:45 -04:00 |
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read_data.cpp
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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read_data.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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read_dump.cpp
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new reset_ids command and dump_modify delay option
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2018-03-28 11:31:35 -06:00 |
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read_dump.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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read_restart.cpp
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print a message about the restored atom style
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2018-03-19 18:57:28 -04:00 |
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read_restart.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-02-15 15:26:57 +00:00 |
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reader.cpp
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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reader.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10926 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-11-04 15:52:10 +00:00 |
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reader_native.cpp
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add fix mscg command, example, lib
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2017-01-09 13:36:40 -07:00 |
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reader_native.h
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
reader_xyz.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-30 20:04:06 +00:00 |
|
reader_xyz.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10806 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-09-18 16:20:58 +00:00 |
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region.cpp
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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region.h
|
cleanup embedded or trailing tabs
|
2018-03-16 13:21:54 -04:00 |
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region_block.cpp
|
changes for next patch, 2d disc options for spheres, fix external upgrade, bug fixes for fix ave/chunk for density calcs, Aidan doc page citation deconvolution
|
2017-03-21 08:56:37 -06:00 |
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region_block.h
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new fix wall/gran/region command, REBO bug fix, new example log files
|
2016-10-06 15:47:41 -06:00 |
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region_cone.cpp
|
whitespace cleanup
|
2016-10-24 17:13:21 -04:00 |
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region_cone.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
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region_cylinder.cpp
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
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region_cylinder.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
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region_intersect.cpp
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
|
region_intersect.h
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bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with restarting
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2016-10-13 16:55:53 -06:00 |
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region_plane.cpp
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new fix wall/gran/region command, REBO bug fix, new example log files
|
2016-10-06 15:47:41 -06:00 |
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region_plane.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
region_prism.cpp
|
new fix wall/gran/region command, REBO bug fix, new example log files
|
2016-10-06 15:47:41 -06:00 |
|
region_prism.h
|
new fix wall/gran/region command, REBO bug fix, new example log files
|
2016-10-06 15:47:41 -06:00 |
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region_sphere.cpp
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whitespace cleanup
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2016-10-24 17:13:21 -04:00 |
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region_sphere.h
|
Spelling fixes in source files
|
2017-03-05 18:30:39 -05:00 |
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region_union.cpp
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
region_union.h
|
bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with restarting
|
2016-10-13 16:55:53 -06:00 |
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replicate.cpp
|
Replicate bbox from Chris Knight
|
2017-11-06 11:31:43 -07:00 |
|
replicate.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2014-10-21 17:09:24 +00:00 |
|
rerun.cpp
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Fix more typos in src files
|
2017-03-07 00:55:01 -05:00 |
|
rerun.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-23 23:30:50 +00:00 |
|
reset_ids.cpp
|
new reset_ids command and dump_modify delay option
|
2018-03-28 11:31:35 -06:00 |
|
reset_ids.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
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respa.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
respa.h
|
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
|
2018-02-22 07:53:58 -05:00 |
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run.cpp
|
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
|
2018-02-22 07:53:58 -05:00 |
|
run.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
set.cpp
|
remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
|
set.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
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special.cpp
|
Make memory_kokkos its own class
|
2017-12-01 09:13:31 -07:00 |
|
special.h
|
change ring communication API to no longer require a static variable pointing to 'this' of the caller
|
2017-06-14 17:01:06 -04:00 |
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suffix.h
|
changes to imbalance weight factors
|
2016-10-05 10:33:39 -06:00 |
|
thermo.cpp
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
thermo.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
timer.cpp
|
reapply changes to the timer class that got lost somehow
|
2016-10-18 14:05:08 -04:00 |
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timer.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
universe.cpp
|
initialize 'nper'
|
2016-11-11 07:47:42 -05:00 |
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universe.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
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update.cpp
|
more meaningful output for electron units. fix bug in time unit to fs conversion
|
2018-03-21 20:12:14 -04:00 |
|
update.h
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changes to imbalance weight factors
|
2016-10-05 10:33:39 -06:00 |
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variable.cpp
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remove trailing whitespace
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2018-03-16 12:37:27 -04:00 |
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variable.h
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add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
velocity.cpp
|
apply test for overlap with rigid bodies to set and velocity command
|
2017-06-05 13:06:53 -04:00 |
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velocity.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
verlet.cpp
|
make default argument of virtual function Neighbor::build() explicit
|
2018-02-22 08:42:36 -05:00 |
|
verlet.h
|
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
|
2018-02-22 07:53:58 -05:00 |
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version.h
|
patch 20Apr18
|
2018-04-20 17:22:38 -06:00 |
|
write_coeff.cpp
|
Use multiple inheritance to remove accelerator_kokkos.h out of pair.h
|
2017-12-01 09:51:40 -07:00 |
|
write_coeff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
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write_data.cpp
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rename noextra flag to nofix
|
2018-03-04 09:55:44 -05:00 |
|
write_data.h
|
rename noextra flag to nofix
|
2018-03-04 09:56:22 -05:00 |
|
write_dump.cpp
|
print write dump systen init warning only on MPI rank 0
|
2017-08-23 21:01:55 -04:00 |
|
write_dump.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13601 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-15 21:29:44 +00:00 |
|
write_restart.cpp
|
write the name of a pair style to the restart even if it does not store data
|
2018-03-19 18:00:48 -04:00 |
|
write_restart.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14860 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-22 15:55:54 +00:00 |
d5ec76290b