| .. |
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ASPHERE
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Merge branch 'master' into improve-include-consistency
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2019-07-09 14:50:00 -04:00 |
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BODY
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Merge pull request #1556 from lammps/bug-maxexchange
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2019-07-30 17:09:18 -04:00 |
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CLASS2
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clean up includes in packages CLASS2, COLLOID, COMPRESS, and CORESHELL
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2019-07-06 06:29:22 -04:00 |
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COLLOID
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bugfix for pair style lubricate when used with walls
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2019-09-09 18:03:43 -04:00 |
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COMPRESS
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add support for adding an ITEM: TIME output to some dump files
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2019-09-30 11:03:22 -04:00 |
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CORESHELL
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Merge branch 'master' into improve-include-consistency
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2019-07-09 14:50:00 -04:00 |
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DEPEND
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Fix more typos in src files
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2017-03-07 00:55:01 -05:00 |
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DIPOLE
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fix "implicit fallthrough" warnings
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2019-10-14 16:41:12 +02:00 |
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GPU
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putting implementation header first in package folder sources
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2019-07-03 19:58:25 -04:00 |
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GRANULAR
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Merge pull request #1631 from jibril-b-coulibaly/patch-2
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2019-10-09 14:14:48 +02:00 |
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KIM
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Set KIM pointer appropriately for Energy
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2019-10-15 15:38:19 -05:00 |
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KOKKOS
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Fixed vfull tally bug in KOKKOS
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2019-10-14 19:28:20 -07:00 |
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KSPACE
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Merge branch 'master' into fix-compiler-warnings
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2019-10-17 06:03:59 -04:00 |
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LATTE
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more rearranging of include file order to put implementation headers first
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2019-07-03 21:57:39 -04:00 |
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MAKE
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Commit JT 092319
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2019-09-23 11:12:31 -06:00 |
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MANYBODY
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initialize/reset more unallocated pointer variables to NULL
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2019-10-08 02:41:35 -04:00 |
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MC
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clean up includes in MC and MISC package
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2019-07-07 11:49:13 -04:00 |
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MESSAGE
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more rearranging of include file order to put implementation headers first
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2019-07-03 21:57:39 -04:00 |
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MISC
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clean up includes in MC and MISC package
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2019-07-07 11:49:13 -04:00 |
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MOLECULE
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Small changes to base dihedral_harmonic class
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2019-09-09 12:06:52 -06:00 |
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MPIIO
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some cleanup for missed steps in previous change sets
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2019-07-12 16:37:01 -04:00 |
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MSCG
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more rearranging of include file order to put implementation headers first
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2019-07-03 21:57:39 -04:00 |
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OPT
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more rearranging of include file order to put implementation headers first
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2019-07-03 21:57:39 -04:00 |
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PERI
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Merge branch 'master' into improve-include-consistency
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2019-07-19 17:57:58 -04:00 |
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POEMS
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correct forward declaration of POEMS workspace class
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2019-07-22 14:36:09 -04:00 |
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PYTHON
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more rearranging of include file order to put implementation headers first
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2019-07-03 21:57:39 -04:00 |
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QEQ
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Merge branch 'master' into improve-include-consistency
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2019-07-09 14:50:00 -04:00 |
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REPLICA
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Add Kokkos version of minimize
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2019-08-28 09:41:15 -06:00 |
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RIGID
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correct overlapping definitions of bitmask flags
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2019-09-09 15:33:56 -04:00 |
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SHOCK
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more rearranging of include file order to put implementation headers first
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2019-07-03 21:57:39 -04:00 |
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SNAP
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Added comm->me check
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2019-10-11 11:07:02 -06:00 |
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SPIN
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Merge branch 'master' of github.com:alxvov/lammps into OSO
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2019-10-04 08:56:49 -06:00 |
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SRD
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more rearranging of include file order to put implementation headers first
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2019-07-03 21:57:39 -04:00 |
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STUBS
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prefer local mpi.h file by using '#include "mpi.h"' instead of '#include <mpi.h>'
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2019-10-15 09:28:34 +02:00 |
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USER-ADIOS
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more rearranging of include file order to put implementation headers first
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2019-07-03 21:57:39 -04:00 |
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USER-ATC
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more rearranging of include file order to put implementation headers first
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2019-07-03 21:57:39 -04:00 |
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USER-AWPMD
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some cleanup for missed steps in previous change sets
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2019-07-12 16:37:01 -04:00 |
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USER-BOCS
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Changed the code in the read_F_table function to conform to the "expected behavior" description in #1572. Adopted a best-of-both-worlds approach, though, and processed the whole input file all the way through, emitting a message for each problem found, before issuing a final error message to stop processing. Updated doc to clarify requirement for uniform spacing of pressure correction points.
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2019-08-02 08:46:04 -04:00 |
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USER-CGDNA
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Merge branch 'master' into improve-include-consistency
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2019-07-19 13:26:00 -04:00 |
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USER-CGSDK
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some cleanup for missed steps in previous change sets
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2019-07-12 16:37:01 -04:00 |
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USER-COLVARS
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Merge pull request #1607 from giacomofiorin/colvars-update
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2019-08-02 10:43:13 -04:00 |
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USER-DIFFRACTION
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fix typos
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2019-09-17 08:24:40 -04:00 |
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USER-DPD
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some cleanup for missed steps in previous change sets
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2019-07-12 16:37:01 -04:00 |
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USER-DRUDE
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more include handling cleanup in USER packages
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2019-07-12 18:00:59 -04:00 |
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USER-EFF
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more include handling cleanup in USER packages
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2019-07-12 18:00:59 -04:00 |
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USER-FEP
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include file cleanup in some more packages
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2019-07-10 01:18:34 -04:00 |
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USER-H5MD
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silence compiler warning about unused parameter
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2018-11-28 22:20:42 -05:00 |
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USER-INTEL
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Merge branch 'master' into user-intel-g2s
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2019-09-17 19:30:11 -07:00 |
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USER-LB
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more include handling cleanup in USER packages
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2019-07-12 18:00:59 -04:00 |
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USER-MANIFOLD
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continuing include file handling cleanup
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2019-07-10 08:49:16 -04:00 |
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USER-MEAMC
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move inline functions to the only place they are used. no need to use size_t for indices that are small
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2019-07-30 14:21:53 -04:00 |
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USER-MESO
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Merge branch 'master' into improve-include-consistency
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2019-07-10 14:18:42 -04:00 |
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USER-MGPT
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more include handling cleanup in USER packages
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2019-07-12 18:00:59 -04:00 |
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USER-MISC
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Merge branch 'master' into fix-compiler-warnings
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2019-10-17 06:03:59 -04:00 |
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USER-MOFFF
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update include lists in packages USER-MISC, USER-MOFF, USER-PTM, and USER-SMD
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2019-07-10 15:51:57 -04:00 |
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USER-MOLFILE
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more include handling cleanup in USER packages
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2019-07-12 18:00:59 -04:00 |
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USER-NETCDF
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MAINT: Replaced special character with a space.
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2019-01-23 11:29:49 +01:00 |
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USER-OMP
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Merge branch 'master' into fix-compiler-warnings
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2019-10-17 06:03:59 -04:00 |
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USER-PHONON
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multiple changes to integrate into LAMMPS more smoothly
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2019-09-23 12:11:34 -04:00 |
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USER-PLUMED
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don't set MPI communicator when compiling in serial with MPI stubs
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2019-07-24 16:03:11 -04:00 |
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USER-PTM
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Add missing definition of NULL in USER-PTM header
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2019-07-31 03:22:22 -04:00 |
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USER-QMMM
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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USER-QTB
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fix up some leftover include issues that got overlooked in previous changes
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2019-07-11 07:22:41 -04:00 |
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USER-QUIP
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whitespace cleanup
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2019-05-29 14:42:18 -04:00 |
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USER-REAXC
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Merge branch 'master' into improve-include-consistency
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2019-07-19 17:57:58 -04:00 |
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USER-SCAFACOS
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use ev_init for kspace
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2019-03-13 17:55:30 +01:00 |
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USER-SDPD
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fix up some leftover include issues that got overlooked in previous changes
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2019-07-11 07:22:41 -04:00 |
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USER-SMD
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starting to work on includes in USER-OMP
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2019-07-11 22:12:01 -04:00 |
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USER-SMTBQ
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update packages USER-SPH, USER-SMTBQ, USER-SDPD, USER-TALLY, USER-UEF, USER-YAFF
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2019-07-09 16:11:25 -04:00 |
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USER-SPH
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Merge branch 'master' into improve-include-consistency
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2019-07-10 14:18:42 -04:00 |
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USER-TALLY
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update packages USER-SPH, USER-SMTBQ, USER-SDPD, USER-TALLY, USER-UEF, USER-YAFF
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2019-07-09 16:11:25 -04:00 |
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USER-UEF
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fix up some leftover include issues that got overlooked in previous changes
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2019-07-11 07:22:41 -04:00 |
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USER-VTK
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replace faulty preprocessor logic
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2018-11-09 01:08:57 -05:00 |
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USER-YAFF
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fix up some leftover include issues that got overlooked in previous changes
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2019-07-11 07:22:41 -04:00 |
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VORONOI
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complete cleaning includes in some more packages
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2019-07-08 16:45:21 -04:00 |
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.gitignore
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Commit JT 082219
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2019-08-22 10:48:58 -06:00 |
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Depend.sh
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first commit: added SDPD
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2018-10-30 17:40:00 +03:30 |
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Install.sh
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update dependencies for USER-CGSDK package. make script permissions consistent
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2018-05-09 16:13:54 -04:00 |
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Make.sh
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add support for creating packages_*.h files in conventional make
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2019-04-07 20:52:15 -04:00 |
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Makefile
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refactor commands in the STUBS folder for 'make serial' and 'make clean-serial'
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2019-07-26 15:42:34 -04:00 |
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Makefile.list
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rollback unneeded change to Makefile.list per review
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2019-06-21 15:50:52 +01:00 |
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Makefile.package.empty
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…
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Makefile.package.settings.empty
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…
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Package.sh
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update dependencies for USER-CGSDK package. make script permissions consistent
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2018-05-09 16:13:54 -04:00 |
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Purge.list
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add support for creating packages_*.h files in conventional make
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2019-04-07 20:52:15 -04:00 |
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accelerator_kokkos.h
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some cleanup for missed steps in previous change sets
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2019-07-12 16:37:01 -04:00 |
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accelerator_omp.h
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Fix USER-OMP compilation with CMake
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2018-08-27 22:11:15 -04:00 |
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angle.cpp
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first batch of changes suggested by using include-what-you-use tool
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2019-06-27 09:14:36 -04:00 |
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angle.h
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Merge branch 'master' into improve-include-consistency
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2019-07-26 17:24:32 -04:00 |
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angle_deprecated.cpp
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
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2019-07-03 06:16:16 -04:00 |
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angle_deprecated.h
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implement deprecated styles for bond, angle, dihedral, and improper
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2018-10-17 16:26:20 -04:00 |
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angle_hybrid.cpp
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Merge branch 'master' into improve-include-consistency
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2019-07-26 17:24:32 -04:00 |
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angle_hybrid.h
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headers that directly or indirectly include pointers.h may assume <cstdio> is loaded, too.
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2019-06-27 10:12:53 -04:00 |
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angle_zero.cpp
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
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2019-07-03 06:16:16 -04:00 |
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angle_zero.h
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headers that directly or indirectly include pointers.h may assume <cstdio> is loaded, too.
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2019-06-27 10:12:53 -04:00 |
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atom.cpp
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fix segfault in atom map hash when using "clear".
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2019-10-17 09:29:21 -04:00 |
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atom.h
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checking return value of ?scanf() calls to detect problems parsing files
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2019-07-19 11:14:39 -04:00 |
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atom_map.cpp
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fix segfault in atom map hash when using "clear".
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2019-10-17 09:29:21 -04:00 |
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atom_map.h
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add placeholders to include files for error messges
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2018-04-03 17:48:31 -06:00 |
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atom_masks.h
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Updates to Kokkos files
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2016-12-15 11:18:50 -07:00 |
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atom_vec.cpp
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Merge pull request #1556 from lammps/bug-maxexchange
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2019-07-30 17:09:18 -04:00 |
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atom_vec.h
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Merge pull request #1556 from lammps/bug-maxexchange
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2019-07-30 17:09:18 -04:00 |
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atom_vec_atomic.cpp
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Merge branch 'master' into improve-include-consistency
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2019-07-10 14:18:42 -04:00 |
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atom_vec_atomic.h
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…
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|
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atom_vec_body.cpp
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Merge branch 'master' into improve-include-consistency
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2019-07-10 14:18:42 -04:00 |
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atom_vec_body.h
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some more include file consistency changes
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2019-06-27 17:11:53 -04:00 |
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atom_vec_charge.cpp
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Merge branch 'master' into improve-include-consistency
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2019-07-10 14:18:42 -04:00 |
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atom_vec_charge.h
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…
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|
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atom_vec_ellipsoid.cpp
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Merge branch 'master' into improve-include-consistency
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2019-07-19 17:57:58 -04:00 |
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atom_vec_ellipsoid.h
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make nlocal_bonus accessible
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2019-02-17 17:14:01 -05:00 |
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atom_vec_hybrid.cpp
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Merge pull request #1556 from lammps/bug-maxexchange
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2019-07-30 17:09:18 -04:00 |
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atom_vec_hybrid.h
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more header cleanup
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2019-06-27 20:52:23 -04:00 |
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atom_vec_line.cpp
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Merge branch 'master' into improve-include-consistency
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2019-07-10 14:18:42 -04:00 |
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atom_vec_line.h
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make nlocal_bonus accessible
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2019-02-17 17:14:01 -05:00 |
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atom_vec_sphere.cpp
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Merge branch 'master' into improve-include-consistency
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2019-07-10 14:18:42 -04:00 |
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atom_vec_sphere.h
|
…
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|
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atom_vec_tri.cpp
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Merge branch 'master' into improve-include-consistency
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2019-07-10 14:18:42 -04:00 |
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atom_vec_tri.h
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make nlocal_bonus accessible
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2019-02-17 17:14:01 -05:00 |
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balance.cpp
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
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2019-07-03 06:16:16 -04:00 |
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balance.h
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some more include file consistency changes
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2019-06-27 17:11:53 -04:00 |
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body.cpp
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
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body.h
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Merge pull request #1556 from lammps/bug-maxexchange
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2019-07-30 17:09:18 -04:00 |
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bond.cpp
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
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2019-07-03 06:16:16 -04:00 |
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bond.h
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Merge branch 'master' into improve-include-consistency
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2019-07-26 17:24:32 -04:00 |
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bond_deprecated.cpp
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
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2019-07-03 06:16:16 -04:00 |
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bond_deprecated.h
|
implement deprecated styles for bond, angle, dihedral, and improper
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2018-10-17 16:26:20 -04:00 |
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bond_hybrid.cpp
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Merge branch 'master' into improve-include-consistency
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2019-07-26 17:24:32 -04:00 |
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bond_hybrid.h
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bulk removal of #include <cstdio> from header files
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2019-06-27 21:54:07 -04:00 |
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bond_zero.cpp
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
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bond_zero.h
|
bulk removal of #include <cstdio> from header files
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2019-06-27 21:54:07 -04:00 |
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change_box.cpp
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
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change_box.h
|
port documentation spelling fixes to comments or strings in source code.
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2018-11-19 16:15:24 -05:00 |
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citeme.cpp
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bulk removal of #include <cstdio> from header files
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2019-06-27 21:54:07 -04:00 |
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citeme.h
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more header cleanup
|
2019-06-27 20:52:23 -04:00 |
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comm.cpp
|
Merge pull request #1556 from lammps/bug-maxexchange
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2019-07-30 17:09:18 -04:00 |
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comm.h
|
Merge pull request #1556 from lammps/bug-maxexchange
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2019-07-30 17:09:18 -04:00 |
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comm_brick.cpp
|
Merge pull request #1556 from lammps/bug-maxexchange
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2019-07-30 17:09:18 -04:00 |
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comm_brick.h
|
more robust version of atom exchange size
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2019-07-09 16:17:54 -06:00 |
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comm_tiled.cpp
|
Merge pull request #1556 from lammps/bug-maxexchange
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2019-07-30 17:09:18 -04:00 |
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comm_tiled.h
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no need to include mpi.h in headers that include pointers.h (directly or indirectly)
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2019-08-13 11:04:13 -04:00 |
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compute.cpp
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put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
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2019-07-03 06:16:16 -04:00 |
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compute.h
|
first batch of changes suggested by using include-what-you-use tool
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2019-06-27 09:14:36 -04:00 |
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compute_adf.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_adf.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
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compute_aggregate_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_aggregate_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_angle.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_angle.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_angle_local.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_angle_local.h
|
add variable option to compute bond/angle/dihedral local
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2018-09-04 14:48:44 -06:00 |
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compute_angmom_chunk.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_angmom_chunk.h
|
…
|
|
|
compute_bond.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_bond.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_bond_local.cpp
|
Added a missing break statement in fz component
|
2019-09-11 11:59:59 +01:00 |
|
compute_bond_local.h
|
add variable option to compute bond/angle/dihedral local
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2018-09-04 14:48:44 -06:00 |
|
compute_centro_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_centro_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_chunk_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_chunk_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_chunk_spread_atom.cpp
|
Merge branch 'master' into collected-small-changes
|
2019-07-30 14:14:11 -04:00 |
|
compute_chunk_spread_atom.h
|
avoid class initialization order warnings
|
2018-09-10 22:32:56 -04:00 |
|
compute_cluster_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_cluster_atom.h
|
add new compute fragment/atom
|
2017-08-18 19:07:32 -04:00 |
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compute_cna_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_cna_atom.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_com.cpp
|
make certain that the vector storage and the size_vector variable are consistent in computes
|
2019-07-01 17:25:02 -04:00 |
|
compute_com.h
|
…
|
|
|
compute_com_chunk.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_com_chunk.h
|
…
|
|
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compute_contact_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_contact_atom.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
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compute_coord_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_coord_atom.h
|
there really isn't a problem with calling this compute multiple times
|
2019-05-17 15:26:35 -04:00 |
|
compute_deprecated.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_deprecated.h
|
add DEPRECATED compute style
|
2018-10-17 16:05:10 -04:00 |
|
compute_dihedral.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_dihedral.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_dihedral_local.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_dihedral_local.h
|
remove dead code and silence compiler warnings
|
2018-11-15 16:50:56 -05:00 |
|
compute_dipole_chunk.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_dipole_chunk.h
|
…
|
|
|
compute_displace_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_displace_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_erotate_sphere.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_erotate_sphere.h
|
…
|
|
|
compute_erotate_sphere_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_erotate_sphere_atom.h
|
…
|
|
|
compute_fragment_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_fragment_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_global_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_global_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_group_group.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -04:00 |
|
compute_group_group.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_gyration.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -04:00 |
|
compute_gyration.h
|
…
|
|
|
compute_gyration_chunk.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_gyration_chunk.h
|
…
|
|
|
compute_heat_flux.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -04:00 |
|
compute_heat_flux.h
|
…
|
|
|
compute_hexorder_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_hexorder_atom.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_improper.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_improper.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_improper_local.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_improper_local.h
|
added functionity to lib interface
|
2016-12-13 16:22:17 -07:00 |
|
compute_inertia_chunk.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_inertia_chunk.h
|
…
|
|
|
compute_ke.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_ke.h
|
…
|
|
|
compute_ke_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_ke_atom.h
|
…
|
|
|
compute_msd.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -04:00 |
|
compute_msd.h
|
…
|
|
|
compute_msd_chunk.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_msd_chunk.h
|
…
|
|
|
compute_omega_chunk.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_omega_chunk.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_orientorder_atom.cpp
|
Modified documentation
|
2019-08-26 14:28:09 -06:00 |
|
compute_orientorder_atom.h
|
Added Wlhat
|
2019-08-25 12:06:25 -06:00 |
|
compute_pair.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_pair.h
|
Extend compute pair to handle multiple instances of a given pair style
|
2018-10-05 20:34:12 +02:00 |
|
compute_pair_local.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_pair_local.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_pe.cpp
|
Compute pe doesn't touch atom data
|
2019-09-09 12:29:46 -06:00 |
|
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
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -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
|
Merge pull request #1511 from jdevemy/master
|
2019-07-29 22:15:20 -04:00 |
|
compute_pressure.h
|
Recheck existence of pair style in init
|
2019-07-02 16:13:20 +02:00 |
|
compute_property_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_property_atom.h
|
more 'war on tabs'
|
2019-03-29 10:21:44 -04:00 |
|
compute_property_chunk.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_property_chunk.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
compute_property_local.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_property_local.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_rdf.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_rdf.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
compute_reduce.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_reduce.h
|
…
|
|
|
compute_reduce_chunk.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_reduce_chunk.h
|
remove trailing whitespace
|
2018-11-30 08:00:08 -05:00 |
|
compute_reduce_region.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_reduce_region.h
|
…
|
|
|
compute_slice.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_slice.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
compute_stress_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_stress_atom.h
|
…
|
|
|
compute_temp.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -04:00 |
|
compute_temp.h
|
…
|
|
|
compute_temp_chunk.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -04:00 |
|
compute_temp_chunk.h
|
…
|
|
|
compute_temp_com.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -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
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -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
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -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
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -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
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -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
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -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
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -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
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_torque_chunk.h
|
…
|
|
|
compute_vacf.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -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
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
compute_vcm_chunk.h
|
…
|
|
|
create_atoms.cpp
|
Merge pull request #1512 from mkanski/rotate_molecules
|
2019-07-30 10:53:37 -04:00 |
|
create_atoms.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
create_bonds.cpp
|
Added function for creating an improper using single/improper
|
2019-10-08 10:46:27 +01:00 |
|
create_bonds.h
|
Added function for creating an improper using single/improper
|
2019-10-08 10:46:27 +01:00 |
|
create_box.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
create_box.h
|
port documentation spelling fixes to comments or strings in source code.
|
2018-11-19 16:15:24 -05:00 |
|
delete_atoms.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
delete_atoms.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
delete_bonds.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
delete_bonds.h
|
…
|
|
|
deprecated.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
deprecated.h
|
make default style name for deprecated styles uppercase, so it is considered internal
|
2018-10-17 16:04:52 -04:00 |
|
dihedral.cpp
|
even more include file cleanup
|
2019-06-28 07:09:57 -04:00 |
|
dihedral.h
|
Merge branch 'master' into improve-include-consistency
|
2019-07-26 17:24:32 -04:00 |
|
dihedral_deprecated.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
dihedral_deprecated.h
|
implement deprecated styles for bond, angle, dihedral, and improper
|
2018-10-17 16:26:20 -04:00 |
|
dihedral_hybrid.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-26 17:24:32 -04:00 |
|
dihedral_hybrid.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
dihedral_zero.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
dihedral_zero.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
displace_atoms.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
displace_atoms.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
domain.cpp
|
do not reset box (i.e. apply shrink-wrapping) for systems without atoms
|
2019-10-08 02:40:08 -04:00 |
|
domain.h
|
continue cleaning up include file lists
|
2019-06-29 09:37:44 -04:00 |
|
dump.cpp
|
add support for adding an ITEM: TIME output to some dump files
|
2019-09-30 11:03:22 -04:00 |
|
dump.h
|
add support for adding an ITEM: TIME output to some dump files
|
2019-09-30 11:03:22 -04:00 |
|
dump_atom.cpp
|
add support for adding an ITEM: TIME output to some dump files
|
2019-09-30 11:03:22 -04:00 |
|
dump_atom.h
|
…
|
|
|
dump_cfg.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
dump_cfg.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
dump_custom.cpp
|
add support for adding an ITEM: TIME output to some dump files
|
2019-09-30 11:03:22 -04:00 |
|
dump_custom.h
|
Commit modifs before release 1 (03/26/18)
|
2018-04-26 15:26:31 -06:00 |
|
dump_dcd.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
dump_dcd.h
|
…
|
|
|
dump_deprecated.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
dump_deprecated.h
|
add deprecated dump and region styles
|
2018-10-17 18:13:12 -04:00 |
|
dump_image.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
dump_image.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
dump_local.cpp
|
add support for adding an ITEM: TIME output to some dump files
|
2019-09-30 11:03:22 -04:00 |
|
dump_local.h
|
add dump style local/gz to COMPRESS packages
|
2019-09-12 14:38:09 -04:00 |
|
dump_movie.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
dump_movie.h
|
…
|
|
|
dump_xyz.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
dump_xyz.h
|
…
|
|
|
error.cpp
|
need to include update.h when exceptions are enabled
|
2019-08-01 07:07:21 -04:00 |
|
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
|
some cleanup for missed steps in previous change sets
|
2019-07-12 16:37:01 -04:00 |
|
finish.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix.cpp
|
Merge pull request #1556 from lammps/bug-maxexchange
|
2019-07-30 17:09:18 -04:00 |
|
fix.h
|
Merge pull request #1556 from lammps/bug-maxexchange
|
2019-07-30 17:09:18 -04:00 |
|
fix_adapt.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_adapt.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_addforce.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_addforce.h
|
Fix typos in src files
|
2017-03-05 21:03:40 -05:00 |
|
fix_ave_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_ave_atom.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
fix_ave_chunk.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_ave_chunk.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
fix_ave_correlate.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_ave_correlate.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
fix_ave_histo.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_ave_histo.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
fix_ave_histo_weight.cpp
|
fix inconsistent enumerator bug in fix ave/histo vs fix ave/histo/weight
|
2019-08-06 07:28:00 -04:00 |
|
fix_ave_histo_weight.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
fix_ave_time.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_ave_time.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
fix_aveforce.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_aveforce.h
|
…
|
|
|
fix_balance.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_balance.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
fix_box_relax.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_box_relax.h
|
…
|
|
|
fix_controller.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_controller.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_deform.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_deform.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_deprecated.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_deprecated.h
|
make default style name for deprecated styles uppercase, so it is considered internal
|
2018-10-17 16:04:52 -04:00 |
|
fix_drag.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_drag.h
|
…
|
|
|
fix_dt_reset.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_dt_reset.h
|
Limit atom energy change in fix dt/reset
|
2018-05-28 10:57:40 +03:00 |
|
fix_enforce2d.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_enforce2d.h
|
Forgot to include change in fix_enforce2d to access fixlist in kokkos port.
|
2018-06-29 11:58:27 -04:00 |
|
fix_external.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_external.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_gravity.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_gravity.h
|
Porting fix gravity to Kokkos.
|
2018-07-03 11:21:54 -04:00 |
|
fix_group.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_group.h
|
add extract to fix_group
|
2018-04-24 22:53:54 -06:00 |
|
fix_halt.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_halt.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
fix_heat.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_heat.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_indent.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_indent.h
|
…
|
|
|
fix_langevin.cpp
|
Fixed vfull tally bug
|
2019-10-14 19:11:50 -07:00 |
|
fix_langevin.h
|
resolve fsflag conflict fix_langevin
|
2019-09-23 13:29:10 -07:00 |
|
fix_lineforce.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_lineforce.h
|
…
|
|
|
fix_minimize.cpp
|
Add Kokkos version of minimize
|
2019-08-28 09:41:15 -06:00 |
|
fix_minimize.h
|
Add Kokkos version of minimize
|
2019-08-28 09:41:15 -06:00 |
|
fix_momentum.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
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
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_move.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
fix_neigh_history.cpp
|
Merge pull request #1556 from lammps/bug-maxexchange
|
2019-07-30 17:09:18 -04:00 |
|
fix_neigh_history.h
|
continue cleaning up include file lists
|
2019-06-29 09:37:44 -04:00 |
|
fix_nh.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_nh.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_nh_sphere.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_nh_sphere.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_nph.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_nph.h
|
…
|
|
|
fix_nph_sphere.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_nph_sphere.h
|
…
|
|
|
fix_npt.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_npt.h
|
…
|
|
|
fix_npt_sphere.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_npt_sphere.h
|
…
|
|
|
fix_nve.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_nve.h
|
…
|
|
|
fix_nve_limit.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_nve_limit.h
|
…
|
|
|
fix_nve_noforce.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_nve_noforce.h
|
…
|
|
|
fix_nve_sphere.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_nve_sphere.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_nvt.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_nvt.h
|
…
|
|
|
fix_nvt_sllod.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_nvt_sllod.h
|
…
|
|
|
fix_nvt_sphere.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_nvt_sphere.h
|
…
|
|
|
fix_planeforce.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_planeforce.h
|
…
|
|
|
fix_press_berendsen.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_press_berendsen.h
|
…
|
|
|
fix_print.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_print.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
fix_property_atom.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_property_atom.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_read_restart.cpp
|
continue cleaning up include file lists
|
2019-06-29 09:37:44 -04:00 |
|
fix_read_restart.h
|
…
|
|
|
fix_recenter.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_recenter.h
|
…
|
|
|
fix_respa.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_respa.h
|
…
|
|
|
fix_restrain.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_restrain.h
|
forgot to reduce energies
|
2018-05-08 10:46:41 +02:00 |
|
fix_setforce.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_setforce.h
|
…
|
|
|
fix_spring.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_spring.h
|
…
|
|
|
fix_spring_chunk.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_spring_chunk.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_spring_rg.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_spring_rg.h
|
…
|
|
|
fix_spring_self.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_spring_self.h
|
…
|
|
|
fix_store.cpp
|
Merge pull request #1556 from lammps/bug-maxexchange
|
2019-07-30 17:09:18 -04:00 |
|
fix_store.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
fix_store_force.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_store_force.h
|
…
|
|
|
fix_store_state.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_store_state.h
|
…
|
|
|
fix_temp_berendsen.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_temp_berendsen.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_temp_csld.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_temp_csld.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_temp_csvr.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_temp_csvr.h
|
…
|
|
|
fix_temp_rescale.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_temp_rescale.h
|
…
|
|
|
fix_tmd.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-19 17:57:58 -04:00 |
|
fix_tmd.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
fix_vector.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_vector.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
fix_viscous.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_viscous.h
|
…
|
|
|
fix_wall.cpp
|
implement fix wall/morse based on fix wall/region and fix wall/harmonic
|
2019-08-21 16:00:14 -04:00 |
|
fix_wall.h
|
implement fix wall/morse based on fix wall/region and fix wall/harmonic
|
2019-08-21 16:00:14 -04:00 |
|
fix_wall_harmonic.cpp
|
more include file cleanup
|
2019-06-30 15:53:17 -04:00 |
|
fix_wall_harmonic.h
|
…
|
|
|
fix_wall_lj93.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_wall_lj93.h
|
Adding fix_wall_lj93_kokkos
|
2017-03-02 14:02:49 -07:00 |
|
fix_wall_lj126.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_wall_lj126.h
|
…
|
|
|
fix_wall_lj1043.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_wall_lj1043.h
|
…
|
|
|
fix_wall_morse.cpp
|
implement fix wall/morse based on fix wall/region and fix wall/harmonic
|
2019-08-21 16:00:14 -04:00 |
|
fix_wall_morse.h
|
implement fix wall/morse based on fix wall/region and fix wall/harmonic
|
2019-08-21 16:00:14 -04:00 |
|
fix_wall_reflect.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
fix_wall_reflect.h
|
…
|
|
|
fix_wall_region.cpp
|
change order of morse style wall potential parameters to be consistent with pair morse and bond morse
|
2019-08-20 11:27:29 -04:00 |
|
fix_wall_region.h
|
Added a Morse potential option to 'fix wall/region'
|
2019-02-21 01:49:04 +01:00 |
|
force.cpp
|
avoid compilation failure without installed packages
|
2019-10-14 07:56:37 -04:00 |
|
force.h
|
added "likewise" as suggested by @sjplimp
|
2019-10-11 17:19:47 +02:00 |
|
group.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
group.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
hashlittle.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
hashlittle.h
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
image.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
image.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
imbalance.cpp
|
new verion of balance weighting
|
2016-09-23 14:37:53 -06:00 |
|
imbalance.h
|
more include file cleanup
|
2019-06-30 15:53:17 -04:00 |
|
imbalance_group.cpp
|
changes to imbalance weight factors
|
2016-10-05 10:33:39 -06:00 |
|
imbalance_group.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
imbalance_neigh.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
imbalance_neigh.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
imbalance_store.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
imbalance_store.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
imbalance_time.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
imbalance_time.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
imbalance_var.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
imbalance_var.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
improper.cpp
|
more include file cleanup
|
2019-06-30 15:53:17 -04:00 |
|
improper.h
|
Merge branch 'master' into improve-include-consistency
|
2019-07-26 17:24:32 -04:00 |
|
improper_deprecated.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
improper_deprecated.h
|
implement deprecated styles for bond, angle, dihedral, and improper
|
2018-10-17 16:26:20 -04:00 |
|
improper_hybrid.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-26 17:24:32 -04:00 |
|
improper_hybrid.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
improper_zero.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
improper_zero.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
info.cpp
|
print C++ standard in use message with help page and "info config" command
|
2019-10-03 17:21:20 +02:00 |
|
info.h
|
print C++ standard in use message with help page and "info config" command
|
2019-10-03 17:21:20 +02:00 |
|
input.cpp
|
Add Kokkos version of minimize
|
2019-08-28 09:41:15 -06:00 |
|
input.h
|
Merge branch 'master' into kim-simulator-models
|
2019-07-29 20:43:10 -04:00 |
|
integrate.cpp
|
more include file cleanup
|
2019-06-30 15:53:17 -04:00 |
|
integrate.h
|
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
|
2018-02-22 07:53:58 -05:00 |
|
irregular.cpp
|
Merge pull request #1556 from lammps/bug-maxexchange
|
2019-07-30 17:09:18 -04:00 |
|
irregular.h
|
no need to include mpi.h in headers that include pointers.h (directly or indirectly)
|
2019-08-13 11:04:13 -04:00 |
|
kspace.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
kspace.h
|
evil tab removal
|
2019-09-17 08:37:32 -04:00 |
|
kspace_deprecated.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
kspace_deprecated.h
|
fix some typos caused by trusting emacs' smart case-preserving replace too much
|
2018-10-19 16:11:13 -04:00 |
|
lammps.cpp
|
print C++ standard in use message with help page and "info config" command
|
2019-10-03 17:21:20 +02:00 |
|
lammps.h
|
lammps.h must include cstdio and mpi.h
|
2019-06-27 22:14:06 -04:00 |
|
lattice.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
lattice.h
|
…
|
|
|
library.cpp
|
Increase string buffer size to 128
|
2019-08-20 16:55:36 -06:00 |
|
library.h
|
we need int64_t for both LAMMPS_BIGBIG and LAMMPS_SMALLBIG
|
2019-10-17 08:15:58 -04:00 |
|
lmppython.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
lmppython.h
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
lmptype.h
|
implement test for C++11 and document it
|
2019-09-18 15:50:26 -04:00 |
|
lmpwindows.h
|
fix typo
|
2019-05-30 18:36:09 -04:00 |
|
main.cpp
|
correct compilation error with exceptions enabled in main.cpp
|
2019-08-01 08:14:27 -04:00 |
|
math_complex.h
|
remove deprecated 'register' keyword. closes #922
|
2018-05-18 17:43:18 -04:00 |
|
math_const.h
|
comm tiled bug fix
|
2016-09-16 10:31:52 -06:00 |
|
math_extra.cpp
|
Revert "new versions of jacobi() method"
|
2019-07-26 09:38:32 -04:00 |
|
math_extra.h
|
Revert "new versions of jacobi() method"
|
2019-07-26 09:38:32 -04:00 |
|
math_special.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
math_special.h
|
replace C-style include files with their C++ equivalents
|
2018-04-27 18:00:24 -04:00 |
|
math_vector.h
|
remove deprecated 'register' keyword. closes #922
|
2018-05-18 17:43:18 -04:00 |
|
memory.cpp
|
add missing include for compiling with intel compilers without TBB
|
2019-09-13 09:47:02 -04:00 |
|
memory.h
|
more include file cleanup
|
2019-06-30 15:53:17 -04:00 |
|
mergesort.h
|
apply fix for merge sort from issue #1163 by @jtfrey and re-enable it
|
2018-10-23 08:57:33 -04:00 |
|
min.cpp
|
try to fix code processing norms for minimizers that looked incorrect
|
2019-10-14 16:40:24 +02:00 |
|
min.h
|
Commit JT 092419
|
2019-09-24 13:58:56 -06:00 |
|
min_cg.cpp
|
Commit JT 092419
|
2019-09-24 13:58:56 -06:00 |
|
min_cg.h
|
…
|
|
|
min_fire.cpp
|
try to fix code processing norms for minimizers that looked incorrect
|
2019-10-14 16:40:24 +02:00 |
|
min_fire.h
|
…
|
|
|
min_hftn.cpp
|
Commit JT 092319
|
2019-09-23 11:12:31 -06:00 |
|
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
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
min_linesearch.h
|
…
|
|
|
min_quickmin.cpp
|
try to fix code processing norms for minimizers that looked incorrect
|
2019-10-14 16:40:24 +02:00 |
|
min_quickmin.h
|
…
|
|
|
min_sd.cpp
|
try to fix code processing norms for minimizers that looked incorrect
|
2019-10-14 16:40:24 +02:00 |
|
min_sd.h
|
…
|
|
|
minimize.cpp
|
Add Kokkos version of minimize
|
2019-08-28 09:41:15 -06:00 |
|
minimize.h
|
…
|
|
|
modify.cpp
|
Merge branch 'master' into kim-simulator-models
|
2019-07-29 20:43:10 -04:00 |
|
modify.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
molecule.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
molecule.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
mpiio.h
|
minor tweaks to already processed files
|
2019-07-08 16:22:55 -04:00 |
|
my_page.h
|
posix_memalign() does not exist on windows, so we have to workaround using it with USER-INTEL
|
2019-04-01 17:51:53 -04:00 |
|
my_pool_chunk.h
|
apply memory alignment settings from my_page.h to my_pool_chunk.h
|
2019-06-27 00:39:47 -04:00 |
|
nbin.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -04:00 |
|
nbin.h
|
Fix issue in Kokkos neighor binning when using non-Kokkos lists on GPUs
|
2019-07-09 09:43:50 -06:00 |
|
nbin_standard.cpp
|
move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h
|
2018-05-09 23:46:09 -04:00 |
|
nbin_standard.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
neigh_list.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
neigh_list.h
|
more include file cleanup
|
2019-06-30 15:53:17 -04:00 |
|
neigh_request.cpp
|
remove faulty line of code, left in by accident
|
2018-01-16 14:10:46 -05:00 |
|
neigh_request.h
|
whitespace cleanup
|
2018-03-15 21:57:45 -04:00 |
|
neighbor.cpp
|
Fixed error in neighbor distance check for box dimensions
|
2019-10-01 11:40:21 -06:00 |
|
neighbor.h
|
more include file cleanup
|
2019-06-30 15:53:17 -04:00 |
|
npair.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
npair.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_copy.cpp
|
more include file cleanup
|
2019-06-30 15:53:17 -04:00 |
|
npair_copy.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
npair_full_bin.cpp
|
more include file cleanup
|
2019-06-30 15:53:17 -04:00 |
|
npair_full_bin.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_full_bin_atomonly.cpp
|
more include file cleanup
|
2019-06-30 15:53:17 -04:00 |
|
npair_full_bin_atomonly.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_full_bin_ghost.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_full_bin_ghost.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_full_multi.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_full_multi.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_full_nsq.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_full_nsq.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_full_nsq_ghost.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_full_nsq_ghost.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_bin_atomonly_newton.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_bin_atomonly_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_bin_newtoff.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_bin_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_bin_newtoff_ghost.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_bin_newtoff_ghost.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_bin_newton.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_bin_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_bin_newton_tri.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_bin_newton_tri.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_multi_newtoff.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_multi_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_multi_newton.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_multi_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_multi_newton_tri.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_multi_newton_tri.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_nsq_newtoff.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_nsq_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_nsq_newtoff_ghost.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_nsq_newtoff_ghost.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_nsq_newton.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_nsq_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_respa_bin_newtoff.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_respa_bin_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_respa_bin_newton.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_respa_bin_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_respa_bin_newton_tri.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_respa_bin_newton_tri.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_respa_nsq_newtoff.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_respa_nsq_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_respa_nsq_newton.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_respa_nsq_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_size_bin_newtoff.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_size_bin_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_size_bin_newton.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_size_bin_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_size_bin_newton_tri.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_size_bin_newton_tri.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_size_nsq_newtoff.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_size_nsq_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_half_size_nsq_newton.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_half_size_nsq_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_halffull_newtoff.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_halffull_newtoff.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_halffull_newton.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_halffull_newton.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_skip.cpp
|
continuing to clean up include file lists
|
2019-07-01 15:59:16 -04:00 |
|
npair_skip.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_skip_respa.cpp
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
npair_skip_respa.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_skip_size.cpp
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
npair_skip_size.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_skip_size_off2on.cpp
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
npair_skip_size_off2on.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
npair_skip_size_off2on_oneside.cpp
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
npair_skip_size_off2on_oneside.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
nstencil.cpp
|
move enum{NSQ,BIN,MULTI} to the Neighbor class in neighbor.h
|
2018-05-09 23:46:09 -04:00 |
|
nstencil.h
|
USER-DPD: SSA with Kokkos: make stencil's sx, sy, sz variables public
|
2017-02-22 15:08:21 -05:00 |
|
nstencil_full_bin_2d.cpp
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
nstencil_full_multi_2d.h
|
major neighbor list style whitespace cleanup
|
2017-05-30 17:04:48 -04:00 |
|
nstencil_full_multi_3d.cpp
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
nstencil_full_multi_3d.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_bin_2d_newtoff.cpp
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
nstencil_half_multi_2d_newtoff.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_multi_2d_newton.cpp
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
nstencil_half_multi_3d_newtoff.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
nstencil_half_multi_3d_newton.cpp
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
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
|
continue cleaning up include files based on IWYU
|
2019-07-02 15:10:52 -04:00 |
|
nstencil_half_multi_3d_newton_tri.h
|
new neighbor list changes
|
2016-09-07 13:42:58 -06:00 |
|
ntopo.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
ntopo.h
|
move enum{IGNORE,WARN,ERROR) into Thermo class and use Thermo:: namespace to reference it
|
2018-05-09 18:11:31 -04:00 |
|
ntopo_angle_all.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
ntopo_angle_all.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_angle_partial.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
ntopo_angle_partial.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_angle_template.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
ntopo_angle_template.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_bond_all.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
ntopo_bond_all.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_bond_partial.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
ntopo_bond_partial.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_bond_template.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
ntopo_bond_template.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_dihedral_all.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
ntopo_dihedral_all.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_dihedral_partial.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
ntopo_dihedral_partial.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_dihedral_template.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
ntopo_dihedral_template.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_improper_all.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
ntopo_improper_all.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_improper_partial.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
ntopo_improper_partial.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
ntopo_improper_template.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
ntopo_improper_template.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
output.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
output.h
|
update manual and headers for updated error message
|
2019-04-08 07:16:22 -04:00 |
|
pack.h
|
more changes to doc pages and CMakeLists.txt
|
2018-08-14 15:44:25 -06:00 |
|
pair.cpp
|
Merge branch 'master' into master
|
2019-08-19 15:55:39 -06:00 |
|
pair.h
|
Merge branch 'master' into master
|
2019-08-19 15:55:39 -06:00 |
|
pair_beck.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_beck.h
|
…
|
|
|
pair_born.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_born.h
|
…
|
|
|
pair_born_coul_dsf.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -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
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_born_coul_wolf.h
|
…
|
|
|
pair_buck.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_buck.h
|
…
|
|
|
pair_buck_coul_cut.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_buck_coul_cut.h
|
…
|
|
|
pair_coul_cut.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_coul_cut.h
|
…
|
|
|
pair_coul_debye.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_coul_debye.h
|
…
|
|
|
pair_coul_dsf.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_coul_dsf.h
|
…
|
|
|
pair_coul_streitz.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_coul_streitz.h
|
replace leading tabs
|
2018-03-16 12:34:33 -04:00 |
|
pair_coul_wolf.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_coul_wolf.h
|
…
|
|
|
pair_deprecated.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_deprecated.h
|
add reax to DEPRECATED pair style and state when it was removed from LAMMPS
|
2018-12-10 12:11:56 -05:00 |
|
pair_dpd.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_dpd.h
|
…
|
|
|
pair_dpd_tstat.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_dpd_tstat.h
|
…
|
|
|
pair_gauss.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_gauss.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
pair_hybrid.cpp
|
remove unused variables and reduce unused parameter warnings
|
2019-10-14 16:42:21 +02:00 |
|
pair_hybrid.h
|
separate out svector handling to new virtual functions, so it can be handled differently for pair styles hybrid and hybrid/overlay
|
2019-09-12 12:30:22 -04:00 |
|
pair_hybrid_overlay.cpp
|
separate out svector handling to new virtual functions, so it can be handled differently for pair styles hybrid and hybrid/overlay
|
2019-09-12 12:30:22 -04:00 |
|
pair_hybrid_overlay.h
|
separate out svector handling to new virtual functions, so it can be handled differently for pair styles hybrid and hybrid/overlay
|
2019-09-12 12:30:22 -04:00 |
|
pair_lj96_cut.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_lj96_cut.h
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
pair_lj_cubic.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_lj_cubic.h
|
…
|
|
|
pair_lj_cut.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_lj_cut.h
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
pair_lj_cut_coul_cut.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_lj_cut_coul_cut.h
|
…
|
|
|
pair_lj_cut_coul_debye.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
pair_lj_cut_coul_debye.h
|
…
|
|
|
pair_lj_cut_coul_dsf.cpp
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
pair_lj_cut_coul_dsf.h
|
…
|
|
|
pair_lj_cut_coul_wolf.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
pair_lj_cut_coul_wolf.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
pair_lj_expand.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
pair_lj_expand.h
|
…
|
|
|
pair_lj_gromacs.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
pair_lj_gromacs.h
|
…
|
|
|
pair_lj_gromacs_coul_gromacs.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
pair_lj_gromacs_coul_gromacs.h
|
…
|
|
|
pair_lj_smooth.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
pair_lj_smooth.h
|
…
|
|
|
pair_lj_smooth_linear.cpp
|
Silence another compiler warning
|
2019-08-20 19:28:03 -04:00 |
|
pair_lj_smooth_linear.h
|
rename single2nd => single_hessian
|
2019-07-01 20:44:03 -04:00 |
|
pair_mie_cut.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
pair_mie_cut.h
|
Moved some stuff around.
|
2017-10-26 12:25:55 -04:00 |
|
pair_morse.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
pair_morse.h
|
remove trailing whitespace
|
2018-03-16 12:37:27 -04:00 |
|
pair_soft.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
pair_soft.h
|
…
|
|
|
pair_table.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
pair_table.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
pair_ufm.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
pair_ufm.h
|
whitespace cleanup
|
2018-03-15 21:57:45 -04:00 |
|
pair_yukawa.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
pair_yukawa.h
|
Undid the removal of rad in pair_yukawa.
|
2017-11-17 15:07:59 -05:00 |
|
pair_zbl.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
pair_zbl.h
|
Add Kokkos versions of pair_style snap and zbl
|
2018-01-09 17:03:49 -07:00 |
|
pair_zero.cpp
|
add support for single() and r-RESPA to pair style zero
|
2019-10-15 17:22:27 -04:00 |
|
pair_zero.h
|
add support for single() and r-RESPA to pair style zero
|
2019-10-15 17:22:27 -04:00 |
|
pointers.h
|
put implementation header first to avoid issues with mpi.h and lmptype.h with OpenMPI
|
2019-07-03 06:16:16 -04:00 |
|
procmap.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-19 17:57:58 -04:00 |
|
procmap.h
|
…
|
|
|
random_mars.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
random_mars.h
|
…
|
|
|
random_park.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
random_park.h
|
…
|
|
|
rcb.cpp
|
Merge pull request #1542 from akohlmey/improve-include-consistency
|
2019-07-29 20:12:41 -04:00 |
|
rcb.h
|
no need to include mpi.h in headers that include pointers.h (directly or indirectly)
|
2019-08-13 11:04:13 -04:00 |
|
read_data.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-19 17:57:58 -04:00 |
|
read_data.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
read_dump.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -04:00 |
|
read_dump.h
|
no need to include mpi.h in headers that include pointers.h (directly or indirectly)
|
2019-08-13 11:04:13 -04:00 |
|
read_restart.cpp
|
output number of processors when reporting a mismatch on reading a restart
|
2019-09-18 14:35:12 -04:00 |
|
read_restart.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
reader.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -04:00 |
|
reader.h
|
Added the boxinfo argument
|
2019-07-08 17:25:23 -06:00 |
|
reader_native.cpp
|
make native dump reader compatible with dump files containing ITEM: UNITS
|
2019-09-12 15:26:02 -04:00 |
|
reader_native.h
|
Added the boxinfo argument
|
2019-07-08 17:25:23 -06:00 |
|
reader_xyz.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-19 17:57:58 -04:00 |
|
reader_xyz.h
|
Added the boxinfo argument
|
2019-07-08 17:25:23 -06:00 |
|
region.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
region.h
|
minor tweaks to already processed files
|
2019-07-08 16:22:55 -04:00 |
|
region_block.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
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
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
region_cone.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
region_cylinder.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
region_cylinder.h
|
support variables for more region properties
|
2018-12-13 14:06:12 -05:00 |
|
region_deprecated.cpp
|
put implementation header first for all remaining main folder source files
|
2019-07-03 19:34:13 -04:00 |
|
region_deprecated.h
|
add deprecated dump and region styles
|
2018-10-17 18:13:12 -04:00 |
|
region_intersect.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
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
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
region_plane.h
|
…
|
|
|
region_prism.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
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
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
region_sphere.h
|
support variables for more region properties
|
2018-12-13 14:06:12 -05:00 |
|
region_union.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
region_union.h
|
bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with restarting
|
2016-10-13 16:55:53 -06:00 |
|
replicate.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
replicate.h
|
…
|
|
|
rerun.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
rerun.h
|
…
|
|
|
reset_ids.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
reset_ids.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
respa.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
respa.h
|
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
|
2018-02-22 07:53:58 -05:00 |
|
run.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
run.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
set.cpp
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
set.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
special.cpp
|
starting to work on includes in USER-OMP
|
2019-07-11 22:12:01 -04:00 |
|
special.h
|
remove trailing whitespace
|
2019-03-26 11:17:21 -04:00 |
|
suffix.h
|
changes to imbalance weight factors
|
2016-10-05 10:33:39 -06:00 |
|
thermo.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-09 14:50:00 -04:00 |
|
thermo.h
|
continuing to clean up include file lists
|
2019-07-04 08:39:17 -04:00 |
|
timer.cpp
|
minor tweaks to already processed files
|
2019-07-08 16:22:55 -04:00 |
|
timer.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
universe.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-19 17:57:58 -04:00 |
|
universe.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
update.cpp
|
remove unused variables and reduce unused parameter warnings
|
2019-10-14 16:42:21 +02:00 |
|
update.h
|
Add Kokkos version of minimize
|
2019-08-28 09:41:15 -06:00 |
|
utils.cpp
|
Merge branch 'master' into improve-include-consistency
|
2019-07-19 17:57:58 -04:00 |
|
utils.h
|
use alternate implementation of numeric conversion functions
|
2019-07-08 17:51:37 -04:00 |
|
variable.cpp
|
better error messages on accessing invalid IDs in variable expressions
|
2019-08-05 23:17:38 -04:00 |
|
variable.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
velocity.cpp
|
one more chunk of files in src folder to be cleaned up
|
2019-07-05 14:43:20 -04:00 |
|
velocity.h
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
verlet.cpp
|
one more chunk of files in src folder to be cleaned up
|
2019-07-05 14:43:20 -04:00 |
|
verlet.h
|
default arguments on polymorph/pure methods can lead to unexpected overloading in derived classes
|
2018-02-22 07:53:58 -05:00 |
|
version.h
|
step version for next patch release
|
2019-09-19 11:54:24 -04:00 |
|
write_coeff.cpp
|
one more chunk of files in src folder to be cleaned up
|
2019-07-05 14:43:20 -04:00 |
|
write_coeff.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
write_data.cpp
|
one more chunk of files in src folder to be cleaned up
|
2019-07-05 14:43:20 -04:00 |
|
write_data.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
|
write_dump.cpp
|
one more chunk of files in src folder to be cleaned up
|
2019-07-05 14:43:20 -04:00 |
|
write_dump.h
|
update manual and headers for updated error message
|
2019-04-08 07:16:22 -04:00 |
|
write_restart.cpp
|
minor tweaks to already processed files
|
2019-07-08 16:22:55 -04:00 |
|
write_restart.h
|
bulk removal of #include <cstdio> from header files
|
2019-06-27 21:54:07 -04:00 |
595aa7dff3