| .. |
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ASPHERE
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Merge pull request #489 from akohlmey/thread-safe-biasing
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2017-05-18 09:15:07 -06:00 |
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BODY
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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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CLASS2
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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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COLLOID
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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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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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Merge pull request #268 from arielzn/born_dsf
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2016-11-09 11:57:09 -07:00 |
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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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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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GPU
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change references from cg_cmm to lj_sdk and from cmm to sdk
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2017-04-26 19:44:25 -04:00 |
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GRANULAR
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avoid undesired negative forces for high particle velocities in granular models
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2017-05-30 21:54:16 -04:00 |
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KIM
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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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KOKKOS
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major neighbor list style whitespace cleanup
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2017-05-30 17:04:48 -04:00 |
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KSPACE
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triclinic member variable is referenced in destructor and thus must be initialized in constructor
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2017-05-30 07:41:01 -04:00 |
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MAKE
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new neigh_modify exclude option, other SNAP changes
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2017-03-07 09:31:12 -07:00 |
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MANYBODY
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fix bug in computing mixed EAM potentials introduced by TI modifications
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2017-05-26 20:28:45 -04:00 |
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MC
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fix bug reported on lammps-users, when not using the first molecule template
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2017-05-30 23:58:56 -04:00 |
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MEAM
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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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MISC
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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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MOLECULE
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Merge pull request #485 from akohlmey/pair_settings_cut_bugfix
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2017-05-18 09:12:47 -06:00 |
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MPIIO
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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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MSCG
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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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OPT
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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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PERI
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Initializing pointers in PERI, QEQ and REPLICA
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2016-11-07 19:58:27 +01:00 |
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POEMS
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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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PYTHON
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Fixes coverity issue CID 179426
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2017-05-22 17:36:16 -04:00 |
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QEQ
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bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
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2017-05-16 15:51:41 -06:00 |
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REAX
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add support for gzip compressed output to fix reax/bonds, reax/c/bonds and reax/c/species
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2017-05-10 11:19:18 -04:00 |
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REPLICA
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fix gcmc updates from Aidan, trimming of output for replica commands
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2017-04-11 08:35:09 -06:00 |
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RIGID
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new Section package and start doc pages and build scripts
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2017-05-04 11:22:20 -06:00 |
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SHOCK
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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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SNAP
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SNAP changes by Aidan
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2017-05-30 10:21:07 -06:00 |
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SRD
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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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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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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-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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Updated README
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2017-03-29 11:18:04 +01:00 |
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USER-CGSDK
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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-COLVARS
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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-DIFFRACTION
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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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USER-DPD
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Merge pull request #485 from akohlmey/pair_settings_cut_bugfix
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2017-05-18 09:12:47 -06:00 |
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USER-DRUDE
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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-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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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-H5MD
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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-INTEL
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major neighbor list style whitespace cleanup
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2017-05-30 17:04:48 -04:00 |
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USER-LB
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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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USER-MANIFOLD
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update e-mail and affiliation for stefan paquay in USER-MANIFOLD related files
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2017-06-06 16:26:57 -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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some more bookkeeping updates triggered by the lj/sf style removal
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2017-06-06 17:31:45 -04:00 |
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USER-MOLFILE
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update VMD molfile plugin headers and move them to lib/molfile (where they belong)
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2017-04-18 11:42:31 -04:00 |
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USER-NETCDF
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new Section package and start doc pages and build scripts
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2017-05-04 11:22:20 -06:00 |
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USER-OMP
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alias pair style lj/sf to lj/smooth/linear and remove/update related files
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2017-06-06 17:26:06 -04:00 |
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USER-PHONON
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tweaked author syntax
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2016-11-22 08:15:13 -07:00 |
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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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Fix typos in src files
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2017-03-05 21:03:40 -05:00 |
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USER-QUIP
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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-REAXC
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avoid hang in fix reax/c/species when multiple atoms have the exact same x-coordinate
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2017-05-30 08:15:55 -04:00 |
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USER-SMD
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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-SMTBQ
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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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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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turn errors from manybody potentials for */tally computes into warnings
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2017-04-22 21:50:27 -04:00 |
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USER-VTK
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Fix segmentation fault in dump vtk
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2017-05-10 19:51:14 -04:00 |
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VORONOI
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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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.gitignore
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some more bookkeeping updates triggered by the lj/sf style removal
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2017-06-06 17:31:45 -04:00 |
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Depend.sh
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rename USER-CG-CMM folder to USER-CGSDK
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2017-04-26 19:29:39 -04:00 |
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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.py
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change purge target in Makefile, also fixed one issue with Make.py
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2016-09-30 09:17:55 -06:00 |
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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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neighbor list bugfix to prevent cycle in copy lists
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2017-05-09 08:55:18 -06:00 |
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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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|
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Package.sh
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enforce C or POSIX locale in all shell scripts and turn of enforced global grep options
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2016-08-27 01:57:45 -04:00 |
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Purge.list
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alias pair style lj/sf to lj/smooth/linear and remove/update related files
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2017-06-06 17:26:06 -04:00 |
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accelerator_kokkos.h
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sync with SVN
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2016-11-08 08:57:51 -07:00 |
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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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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14868 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-22 17:54:49 +00:00 |
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atom.cpp
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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
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2017-03-21 08:56:37 -06:00 |
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atom.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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atom_map.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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atom_masks.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.cpp
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-05-31 16:20:32 +00:00 |
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atom_vec.h
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changes to imbalance weight factors
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2016-10-05 10:33:39 -06:00 |
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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 |
|
atom_vec_body.cpp
|
fix spring doc page update
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2017-01-17 09:02:56 -07:00 |
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atom_vec_body.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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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
|
2014-10-21 17:09:24 +00:00 |
|
atom_vec_ellipsoid.cpp
|
fix spring doc page update
|
2017-01-17 09:02:56 -07:00 |
|
atom_vec_ellipsoid.h
|
remove executable permissions on non-executables and non-scripts
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2016-09-08 14:45:07 -04:00 |
|
atom_vec_hybrid.cpp
|
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
|
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 |
|
atom_vec_line.cpp
|
fix spring doc page update
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2017-01-17 09:02:56 -07:00 |
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atom_vec_line.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14480 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-01-23 00:49:16 +00:00 |
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atom_vec_sphere.cpp
|
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
|
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 |
|
atom_vec_tri.cpp
|
fix spring doc page update
|
2017-01-17 09:02:56 -07:00 |
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atom_vec_tri.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
balance.cpp
|
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
|
2017-03-23 15:31:27 -06:00 |
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balance.h
|
change to RCB cuts in load-balancing commands, also a new option for fix halt
|
2017-03-10 15:55:07 -07:00 |
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body.cpp
|
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 |
|
body.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14421 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-01-11 22:00:29 +00:00 |
|
bond.cpp
|
Made fix adapt work with bond_harmonic.
|
2017-04-04 12:35:26 -04:00 |
|
bond.h
|
Made fix adapt work with bond_harmonic.
|
2017-04-04 12:35:26 -04:00 |
|
bond_hybrid.cpp
|
sync GHub with SVN
|
2017-01-26 14:06:43 -07:00 |
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bond_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 |
|
bond_zero.cpp
|
add error location propagation to force->bounds() and force->boundsbig()
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2016-10-26 15:53:02 -04:00 |
|
bond_zero.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14868 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-04-22 17:54:49 +00:00 |
|
change_box.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 |
|
change_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 |
|
citeme.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 |
|
citeme.h
|
Spelling fixes in source files
|
2017-03-05 18:30:39 -05:00 |
|
comm.cpp
|
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
|
2017-03-23 15:31:27 -06:00 |
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comm.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15187 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 17:39:55 +00:00 |
|
comm_brick.cpp
|
fix spring doc page update
|
2017-01-17 09:02:56 -07:00 |
|
comm_brick.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15187 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 17:39:55 +00:00 |
|
comm_tiled.cpp
|
remove dead code and reduce trivial compiler warnings (clang++)
|
2017-03-27 14:28:50 -04:00 |
|
comm_tiled.h
|
changes to imbalance weight factors
|
2016-10-05 10:33:39 -06:00 |
|
compute.cpp
|
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
|
2017-03-23 15:31:27 -06:00 |
|
compute.h
|
sbmask function should be flagged as const indicating no side effects
|
2017-06-07 17:10:33 -04:00 |
|
compute_angle.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:02 -04:00 |
|
compute_angle.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_angle_local.cpp
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
compute_angle_local.h
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
compute_angmom_chunk.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:02 -04:00 |
|
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
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:02 -04:00 |
|
compute_bond.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_bond_local.cpp
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
compute_bond_local.h
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
compute_centro_atom.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:02 -04:00 |
|
compute_centro_atom.h
|
Added axes keyword
|
2016-07-27 23:06:18 +00:00 |
|
compute_chunk_atom.cpp
|
Merge pull request #393 from akohlmey/small-bugfixes
|
2017-03-07 09:56:03 -07:00 |
|
compute_chunk_atom.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_cluster_atom.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:02 -04:00 |
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compute_cluster_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_cna_atom.cpp
|
fix off-by one bug when looking for bonds.
|
2016-08-28 14:20:43 -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 |
|
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 |
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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
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_dihedral.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:03 -04:00 |
|
compute_dihedral.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_dihedral_local.cpp
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
compute_dihedral_local.h
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
compute_dipole_chunk.cpp
|
new Section package and start doc pages and build scripts
|
2017-05-04 11:22:20 -06:00 |
|
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
|
individual computes do not need to set vector/array to NULL. reordering fixes to silence compiler warnings
|
2016-08-30 06:41:02 -04:00 |
|
compute_displace_atom.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12996 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-01-28 15:55:56 +00:00 |
|
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_global_atom.cpp
|
new compute global/atom command, also bug fix for descending dump sorts
|
2016-11-30 14:01:27 -07:00 |
|
compute_global_atom.h
|
new compute global/atom command, also bug fix for descending dump sorts
|
2016-11-30 14:01:27 -07:00 |
|
compute_group_group.cpp
|
patch 12Feb17 - change int to tagint for compute group/group
|
2017-02-13 08:40:54 -07:00 |
|
compute_group_group.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_gyration.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 |
|
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 |
|
compute_gyration_chunk.cpp
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
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
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:03 -04:00 |
|
compute_hexorder_atom.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_improper.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:03 -04:00 |
|
compute_improper.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
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
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:03 -04:00 |
|
compute_msd.h
|
Added average keyword
|
2015-12-02 05:06:52 +00:00 |
|
compute_msd_chunk.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:03 -04:00 |
|
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
|
sync with 7Sep16 patch
|
2016-09-06 17:00:32 -06:00 |
|
compute_omega_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_orientorder_atom.cpp
|
simplified neighbor list copying to avoid possible same-timestep re-build issues
|
2017-01-19 17:01:15 -07:00 |
|
compute_orientorder_atom.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_pair.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:03 -04:00 |
|
compute_pair.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_pair_local.cpp
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
compute_pair_local.h
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
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 executable permissions on non-executables and non-scripts
|
2016-09-08 14:45:07 -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
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:03 -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
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:03 -04:00 |
|
compute_property_chunk.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_property_local.cpp
|
remove dead code and reduce trivial compiler warnings (clang++)
|
2017-03-27 14:28:50 -04:00 |
|
compute_property_local.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_rdf.cpp
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
compute_rdf.h
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
compute_reduce.cpp
|
Kokkos updates by Stan
|
2016-11-17 08:58:22 -07:00 |
|
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
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
compute_slice.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_stress_atom.cpp
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:04 -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
|
Fixed initialization of arrays in computes
|
2016-08-24 17:26:04 -04:00 |
|
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
|
remove executable permissions on non-executables and non-scripts
|
2016-09-08 14:45:07 -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
|
Fix more typos in src files
|
2017-03-07 00:55:01 -05:00 |
|
create_atoms.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
create_bonds.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15348 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-07-22 21:19:08 +00:00 |
|
create_bonds.h
|
sbmask function should be flagged as const indicating no side effects
|
2017-06-07 17:10:33 -04:00 |
|
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 library functions
|
2016-10-27 09:34:04 -06:00 |
|
delete_atoms.h
|
sbmask function should be flagged as const indicating no side effects
|
2017-06-07 17:10:33 -04:00 |
|
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 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14868 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-04-22 17:54:49 +00:00 |
|
displace_atoms.cpp
|
displace_atom rotate needs to operate on unwrapped coordinates with image flags set to zero
|
2017-05-29 16:57:35 -04:00 |
|
displace_atoms.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 |
|
domain.cpp
|
make certain Domain::box_change is initialized before use
|
2017-06-06 08:08:10 -04:00 |
|
domain.h
|
new Section package and start doc pages and build scripts
|
2017-05-04 11:22:20 -06:00 |
|
dump.cpp
|
bug fix for dump sort in descending order
|
2016-11-23 17:08:36 -07:00 |
|
dump.h
|
fix bug in recent dump changes for -DLAMMPS_BIGBIG
|
2016-08-22 14:36:47 -04:00 |
|
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
|
NULLing ptrs in comm_brick and dump*.cpp
|
2016-11-07 15:50:18 +01:00 |
|
dump_cfg.h
|
remove executable permissions on non-executables and non-scripts
|
2016-09-08 14:45:07 -04:00 |
|
dump_custom.cpp
|
Merge pull request #476 from akohlmey/dump_custom_bugfix
|
2017-05-11 09:27:08 -06:00 |
|
dump_custom.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
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
|
NULL ptrs in dump_custom and dump_image
|
2016-11-07 15:56:47 +01:00 |
|
dump_image.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15309 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-07-14 19:42:39 +00:00 |
|
dump_local.cpp
|
NULLing ptrs in comm_brick and dump*.cpp
|
2016-11-07 15:50:18 +01:00 |
|
dump_local.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
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
|
print the last input line, when error->all() is called
|
2017-01-09 17:03:06 -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
|
fix gcmc updates from Aidan, trimming of output for replica commands
|
2017-04-11 08:35:09 -06:00 |
|
finish.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.cpp
|
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
|
2017-03-23 15:31:27 -06:00 |
|
fix.h
|
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
|
2017-03-23 15:31:27 -06:00 |
|
fix_adapt.cpp
|
patch 11Apr17
|
2017-04-11 09:00:37 -06:00 |
|
fix_adapt.h
|
Made fix adapt work with bond_harmonic.
|
2017-04-04 12:35:26 -04:00 |
|
fix_addforce.cpp
|
correct bug and synchronize fix addforce respa level init with other fixes
|
2016-09-27 17:36:02 -04:00 |
|
fix_addforce.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
fix_ave_atom.cpp
|
fix argument indexing bug in fix ave/atom
|
2016-09-19 23:24:37 -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
|
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_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
|
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_ave_histo.cpp
|
protect fix ave/histo from segfaulting on non-existing computes, fixes or variables
|
2017-04-03 18:08:15 -04:00 |
|
fix_ave_histo.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15463 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-08-09 14:10:55 +00:00 |
|
fix_ave_histo_weight.cpp
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
fix_ave_histo_weight.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_ave_time.cpp
|
new compute global/atom command, also bug fix for descending dump sorts
|
2016-11-30 14:01:27 -07:00 |
|
fix_ave_time.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
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
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
fix_balance.h
|
adjustments to balancing weights and factors, also XOR op for formulas, if, dump_modify thresh
|
2016-10-05 15:46:20 -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
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_controller.h
|
remove executable permissions on non-executables and non-scripts
|
2016-09-08 14:45:07 -04:00 |
|
fix_deform.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_deform.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15104 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-02 14:14:17 +00:00 |
|
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 |
|
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 |
|
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
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_enforce2d.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15189 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-17 20:54:47 +00:00 |
|
fix_external.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 |
|
fix_external.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_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
|
support dynamic groups with run style respa
|
2016-09-29 15:13:46 -04:00 |
|
fix_group.h
|
Fix more typos in src files
|
2017-03-07 00:55:01 -05:00 |
|
fix_halt.cpp
|
patch 31Mar17 for stable release
|
2017-03-30 10:07:27 -06:00 |
|
fix_halt.h
|
change to RCB cuts in load-balancing commands, also a new option for fix halt
|
2017-03-10 15:55:07 -07:00 |
|
fix_heat.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_heat.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_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
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
fix_langevin.h
|
Spelling fixes in source files
|
2017-03-05 18:30:39 -05:00 |
|
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
|
doc page sync with SVN
|
2016-09-21 20:54:20 -06:00 |
|
fix_move.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_nh.cpp
|
Changed the check on initial and final temperature to <= 0 for both.
|
2017-03-28 11:22:10 -04:00 |
|
fix_nh.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15369 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-07-27 14:04:56 +00:00 |
|
fix_nh_sphere.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 |
|
fix_nh_sphere.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_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
|
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.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
|
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_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
|
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_nve_sphere.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_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
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_property_atom.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14912 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-04-30 18:07:40 +00:00 |
|
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
|
pair TIP4P bug fix for cutoffs >> box size
|
2017-01-06 09:57:27 -07:00 |
|
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_shear_history.cpp
|
fix bug in fix shear/history reported by kevin hanley. see #500
|
2017-05-25 10:11:24 -04:00 |
|
fix_shear_history.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15333 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-07-16 20:00:36 +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
|
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.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
|
added LAST option to dump_modify thresh, more restart info printed out to screen
|
2016-10-11 12:39:52 -06:00 |
|
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
|
patch 17Mar17
|
2017-03-17 11:29:23 -06:00 |
|
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
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_temp_berendsen.h
|
…
|
|
|
fix_temp_csld.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_temp_csld.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13320 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-03-27 20:39:27 +00:00 |
|
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
|
patch to add DPD-VV
|
2016-10-12 07:35:47 -06:00 |
|
fix_temp_rescale.h
|
…
|
|
|
fix_tmd.cpp
|
correct logic bug in bufix for fix tmd
|
2016-10-01 06:26:52 -04:00 |
|
fix_tmd.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_vector.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_vector.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 |
|
fix_viscous.cpp
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -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
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -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
|
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_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
|
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_lj93.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_lj126.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_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
|
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_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
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
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
|
Fixed initialization of arrays in fixes
|
2016-08-28 22:23:22 -04:00 |
|
fix_wall_region.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 |
|
force.cpp
|
NULLing pointers after delete
|
2017-01-04 16:04:05 +01:00 |
|
force.h
|
add error location propagation to force->bounds() and force->boundsbig()
|
2016-10-26 15:53:02 -04:00 |
|
group.cpp
|
Kokkos lib update
|
2016-09-08 13:56:18 -06:00 |
|
group.h
|
undo obsoleted changes to group command by iain bethune
|
2016-08-22 15:23:16 -04:00 |
|
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
|
new verion of balance weighting
|
2016-09-23 14:37:53 -06:00 |
|
imbalance_neigh.cpp
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
imbalance_neigh.h
|
new verion of balance weighting
|
2016-09-23 14:37:53 -06:00 |
|
imbalance_store.cpp
|
new verion of balance weighting
|
2016-09-23 14:37:53 -06:00 |
|
imbalance_store.h
|
new verion of balance weighting
|
2016-09-23 14:37:53 -06:00 |
|
imbalance_time.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_time.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_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
|
adjustments to balancing weights and factors, also XOR op for formulas, if, dump_modify thresh
|
2016-10-05 15:46:20 -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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14868 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-04-22 17:54:49 +00:00 |
|
info.cpp
|
improve memory usage reporting in info and output class
|
2017-03-16 18:35:04 -04:00 |
|
info.h
|
provide an accessor for names of LAMMPS variables
|
2016-10-17 19:56:18 -04:00 |
|
input.cpp
|
fix suffix style handling bug for adding fixes and computes
|
2017-05-25 02:01:04 -04:00 |
|
input.h
|
print the last input line, when error->all() is called
|
2017-01-09 17:03:06 -05:00 |
|
integrate.cpp
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
integrate.h
|
fix gcmc updates from Aidan, trimming of output for replica commands
|
2017-04-11 08:35:09 -06:00 |
|
irregular.cpp
|
Revert "In irregular.cpp use simpler and slightly faster MPI_Reduce_scatter_block()"
|
2017-03-17 11:35:59 -04:00 |
|
irregular.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 |
|
kspace.cpp
|
Adding alloc flag to ev_setup
|
2017-03-08 12:36:23 -07:00 |
|
kspace.h
|
Adding alloc flag to ev_setup
|
2017-03-08 12:36:23 -07:00 |
|
lammps.cpp
|
Refactor PYTHON package and wrapper classes
|
2017-04-11 21:22:30 -04:00 |
|
lammps.h
|
Refactor PYTHON package and wrapper classes
|
2017-04-11 21:22:30 -04:00 |
|
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
|
no need for special whitespace handling in library interface
|
2017-05-30 07:55:48 -04:00 |
|
library.h
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
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
|
Implemented optional C++ exceptions in Error class
|
2016-08-24 15:31:30 -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
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15369 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-07-27 14:04:56 +00:00 |
|
math_extra.h
|
fix spring doc page update
|
2017-01-17 09:02:56 -07:00 |
|
math_special.cpp
|
Stan bug fixes for fix reaxc/bonds/kk
|
2016-11-09 15:47:50 -07:00 |
|
math_special.h
|
fix double-return warning
|
2017-01-25 15:22:42 -07:00 |
|
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
|
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 |
|
min.cpp
|
print warning about minimization energy with fix box/relax
|
2017-05-03 15:33:22 -04:00 |
|
min.h
|
print warning about minimization energy with fix box/relax
|
2017-05-03 15:33:22 -04:00 |
|
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
|
fix suffix style handling bug for adding fixes and computes
|
2017-05-25 02:01:04 -04:00 |
|
modify.h
|
fix suffix style handling bug for adding fixes and computes
|
2017-05-25 02:01:04 -04:00 |
|
molecule.cpp
|
Fix more typos in src files
|
2017-03-07 00:55:01 -05:00 |
|
molecule.h
|
Fix more typos in src files
|
2017-03-07 00:55:01 -05:00 |
|
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
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -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
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
neigh_list.cpp
|
remove a debug print line
|
2017-02-21 15:57:03 -07:00 |
|
neigh_list.h
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
neigh_request.cpp
|
Remove unused code detected by coverity CID 177700
|
2017-05-22 17:51:40 -04:00 |
|
neigh_request.h
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
neighbor.cpp
|
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue
|
2017-05-16 15:51:41 -06:00 |
|
neighbor.h
|
new neigh_modify exclude option, other SNAP changes
|
2017-03-07 09:31:12 -07:00 |
|
npair.cpp
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
npair.h
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
npair_copy.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
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
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
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
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
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
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
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
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_full_nsq.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_full_nsq.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_full_nsq_ghost.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_full_nsq_ghost.h
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
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
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
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
|
new neighbor list changes
|
2016-09-07 13:42:58 -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
|
new neighbor list changes
|
2016-09-07 13:42:58 -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
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
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
|
new neighbor list changes
|
2016-09-07 13:42:58 -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
|
new neighbor list changes
|
2016-09-07 13:42:58 -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
|
new neighbor list changes
|
2016-09-07 13:42:58 -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
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_nsq_newtoff.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_nsq_newtoff.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -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
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_nsq_newton.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_nsq_newton.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_respa_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_respa_bin_newtoff.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_respa_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_respa_bin_newton.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_respa_bin_newton_tri.cpp
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
npair_half_respa_bin_newton_tri.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_respa_nsq_newtoff.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_respa_nsq_newtoff.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_respa_nsq_newton.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_respa_nsq_newton.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_size_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_size_bin_newtoff.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_size_bin_newton.cpp
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
npair_half_size_bin_newton.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_size_bin_newton_tri.cpp
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
npair_half_size_bin_newton_tri.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_size_nsq_newtoff.cpp
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
npair_half_size_nsq_newtoff.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_half_size_nsq_newton.cpp
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
npair_half_size_nsq_newton.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_halffull_newtoff.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_halffull_newtoff.h
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
npair_halffull_newton.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_halffull_newton.h
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
npair_skip.cpp
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
npair_skip.h
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
npair_skip_respa.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_skip_respa.h
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
npair_skip_size.cpp
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
npair_skip_size.h
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
npair_skip_size_off2on.cpp
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
npair_skip_size_off2on.h
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
npair_skip_size_off2on_oneside.cpp
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
npair_skip_size_off2on_oneside.h
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
nstencil.cpp
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
nstencil.h
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
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
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_angle_all.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_angle_all.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_angle_partial.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_angle_partial.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_angle_template.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_angle_template.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_bond_all.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_bond_all.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_bond_partial.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_bond_partial.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_bond_template.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_bond_template.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_dihedral_all.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_dihedral_all.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_dihedral_partial.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_dihedral_partial.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_dihedral_template.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_dihedral_template.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_improper_all.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_improper_all.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_improper_partial.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_improper_partial.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_improper_template.cpp
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo_improper_template.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
output.cpp
|
fix suffix style handling bug for adding fixes and computes
|
2017-05-25 02:01:04 -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
|
…
|
|
|
pair.cpp
|
Adding alloc flag to ev_setup
|
2017-03-08 12:36:23 -07:00 |
|
pair.h
|
sbmask function should be flagged as const indicating no side effects
|
2017-06-07 17:10:33 -04:00 |
|
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
|
…
|
|
|
pair_born.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -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
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -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
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -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
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -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
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -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
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
pair_coul_streitz.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14494 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-01-25 23:04:56 +00:00 |
|
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
|
…
|
|
|
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 mixing for pair styles gauss and gauss/cut contributed by andrew jewett. also add support for write_data.
|
2016-10-18 22:26:47 -04:00 |
|
pair_hybrid.cpp
|
add support to pair_modify to selectively disable compute/tally callbacks in sub-styles for pair hybrid and hybrid/overlay
|
2017-04-21 14:01:38 -04:00 |
|
pair_hybrid.h
|
add support to pair_modify to selectively disable compute/tally callbacks in sub-styles for pair hybrid and hybrid/overlay
|
2017-04-21 14:01:38 -04:00 |
|
pair_hybrid_overlay.cpp
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
pair_hybrid_overlay.h
|
new SNAP potential for W
|
2017-02-21 15:49:21 -07:00 |
|
pair_lj96_cut.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_lj96_cut.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_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
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_lj_cut.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_cut.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -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
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -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_expand.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -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
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_mie_cut.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_morse.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_morse.h
|
Ported Morse to KOKKOS
|
2017-02-01 17:45:21 +01:00 |
|
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
|
protect PairTable dtor with copymode
|
2017-01-05 15:38:45 -07:00 |
|
pair_table.h
|
make PairTable::allocate() virtual
|
2017-01-05 20:46:05 -07:00 |
|
pair_yukawa.cpp
|
correct the inner loop range for resetting cutoffs when redefining a pair style
|
2017-05-16 00:26:18 -04:00 |
|
pair_yukawa.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_zbl.cpp
|
add error location propagation to force->bounds() and force->boundsbig()
|
2016-10-26 15:53:02 -04:00 |
|
pair_zbl.h
|
Modifed ZBL to accomodate mixing
|
2015-09-23 00:30:30 +00:00 |
|
pair_zero.cpp
|
add error location propagation to force->bounds() and force->boundsbig()
|
2016-10-26 15:53:02 -04:00 |
|
pair_zero.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14926 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-05-03 16:01:16 +00:00 |
|
pointers.h
|
Refactor PYTHON package and wrapper classes
|
2017-04-11 21:22:30 -04:00 |
|
procmap.cpp
|
Spelling fixes in source files
|
2017-03-05 18:30:39 -05:00 |
|
procmap.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 |
|
python.cpp
|
implement functions to execute arbitrary python code from strings or files and recast the python source keyword through using them.
|
2017-05-11 22:39:08 -04:00 |
|
python.h
|
implement functions to execute arbitrary python code from strings or files and recast the python source keyword through using them.
|
2017-05-11 22:39:08 -04:00 |
|
random_mars.cpp
|
NULLed ptrs in files
|
2016-11-07 16:07:37 +01:00 |
|
random_mars.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 |
|
random_park.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 |
|
random_park.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 |
|
rcb.cpp
|
patch 17Mar17
|
2017-03-17 11:29:23 -06:00 |
|
rcb.h
|
change to RCB cuts in load-balancing commands, also a new option for fix halt
|
2017-03-10 15:55:07 -07:00 |
|
read_data.cpp
|
Merge branch 'master' into bounds-error-with-code-line
|
2016-10-28 11:11:28 -04:00 |
|
read_data.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14868 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-04-22 17:54:49 +00:00 |
|
read_dump.cpp
|
add fix mscg command, example, lib
|
2017-01-09 13:36:40 -07:00 |
|
read_dump.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 |
|
read_restart.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15180 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-06-15 23:10:12 +00:00 |
|
read_restart.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 |
|
reader.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.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10926 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2013-11-04 15:52:10 +00:00 |
|
reader_native.cpp
|
add fix mscg command, example, lib
|
2017-01-09 13:36:40 -07:00 |
|
reader_native.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 |
|
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
|
2013-09-18 16:20:58 +00:00 |
|
region.cpp
|
fix spring doc page update
|
2017-01-17 09:02:56 -07:00 |
|
region.h
|
new library functions
|
2016-10-27 09:34:04 -06:00 |
|
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 |
|
region_block.h
|
new fix wall/gran/region command, REBO bug fix, new example log files
|
2016-10-06 15:47:41 -06:00 |
|
region_cone.cpp
|
whitespace cleanup
|
2016-10-24 17:13:21 -04:00 |
|
region_cone.h
|
new fix wall/gran/region command, REBO bug fix, new example log files
|
2016-10-06 15:47:41 -06:00 |
|
region_cylinder.cpp
|
NULLed ptrs in files
|
2016-11-07 16:07:37 +01:00 |
|
region_cylinder.h
|
Spelling fixes in source files
|
2017-03-05 18:30:39 -05:00 |
|
region_intersect.cpp
|
NULLed ptrs in files
|
2016-11-07 16:07:37 +01:00 |
|
region_intersect.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 |
|
region_plane.cpp
|
new fix wall/gran/region command, REBO bug fix, new example log files
|
2016-10-06 15:47:41 -06:00 |
|
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 |
|
region_sphere.cpp
|
whitespace cleanup
|
2016-10-24 17:13:21 -04:00 |
|
region_sphere.h
|
Spelling fixes in source files
|
2017-03-05 18:30:39 -05:00 |
|
region_union.cpp
|
NULLed ptrs in files
|
2016-11-07 16:07:37 +01:00 |
|
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 |
|
replicate.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 |
|
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
|
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 |
|
respa.cpp
|
fix gcmc updates from Aidan, trimming of output for replica commands
|
2017-04-11 08:35:09 -06:00 |
|
respa.h
|
fix gcmc updates from Aidan, trimming of output for replica commands
|
2017-04-11 08:35:09 -06:00 |
|
run.cpp
|
pair TIP4P bug fix for cutoffs >> box size
|
2017-01-06 09:57:27 -07:00 |
|
run.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
set.cpp
|
support atom style variables for assigning image flags with the set command
|
2017-05-30 21:52:32 -04:00 |
|
set.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 |
|
special.cpp
|
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof
|
2017-03-23 15:31:27 -06:00 |
|
special.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13708 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-07-24 15:50:34 +00:00 |
|
suffix.h
|
changes to imbalance weight factors
|
2016-10-05 10:33:39 -06:00 |
|
thermo.cpp
|
do not compute properties twice
|
2017-05-18 12:45:43 -04:00 |
|
thermo.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
timer.cpp
|
reapply changes to the timer class that got lost somehow
|
2016-10-18 14:05:08 -04:00 |
|
timer.h
|
reapply changes to the timer class that got lost somehow
|
2016-10-18 14:05:08 -04:00 |
|
universe.cpp
|
initialize 'nper'
|
2016-11-11 07:47:42 -05:00 |
|
universe.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 |
|
update.cpp
|
fix gcmc units change for chemical potential
|
2017-03-28 12:34:46 -06:00 |
|
update.h
|
changes to imbalance weight factors
|
2016-10-05 10:33:39 -06:00 |
|
variable.cpp
|
Refactor PYTHON package and wrapper classes
|
2017-04-11 21:22:30 -04:00 |
|
variable.h
|
Refactor PYTHON package and wrapper classes
|
2017-04-11 21:22:30 -04:00 |
|
velocity.cpp
|
add error location propagation to atom->set_mass() and atom->check_mass()
|
2016-10-26 16:01:40 -04:00 |
|
velocity.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 |
|
verlet.cpp
|
fix gcmc updates from Aidan, trimming of output for replica commands
|
2017-04-11 08:35:09 -06:00 |
|
verlet.h
|
fix gcmc updates from Aidan, trimming of output for replica commands
|
2017-04-11 08:35:09 -06:00 |
|
version.h
|
patch 19May17
|
2017-05-19 07:35:36 -06:00 |
|
write_coeff.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15387 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-07-28 13:51:40 +00:00 |
|
write_coeff.h
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14877 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-04-26 18:33:10 +00:00 |
|
write_data.cpp
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15250 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2016-07-01 23:31:09 +00:00 |
|
write_data.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 |
|
write_dump.cpp
|
added LAST option to dump_modify thresh, more restart info printed out to screen
|
2016-10-11 12:39:52 -06:00 |
|
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
|
minor whitespace cleanup
|
2017-06-06 17:26:18 -04:00 |
|
write_restart.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 |
31a734b03d