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8f60a54656
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update USER-RANN example to run faster and provide reference logs
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2021-06-22 12:27:05 -04:00 |
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ddc596170e
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Merge pull request #2803 from akohlmey/collected-small-changes
Collected small changes
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2021-06-21 12:59:16 -04:00 |
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a90a48c038
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update ASPHERE box/srd example
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2021-06-17 10:35:07 -04:00 |
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5a511c2e92
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whitespace
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2021-06-17 09:56:14 -04:00 |
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ec0f47642a
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delete old log files
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2021-06-14 11:44:05 -07:00 |
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6a4420ba5c
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updated log files from the latested run
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2021-06-14 11:40:45 -07:00 |
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84d04752d3
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update log files. make Si example (much) smaller
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2021-06-13 17:40:00 -04:00 |
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e64ec4647a
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Delete dump.myforce.3
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2021-06-09 20:45:06 -07:00 |
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06aa6b737e
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Delete dump.myforce.2
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2021-06-09 20:44:56 -07:00 |
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399de7dbf8
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Delete dump.myforce.1
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2021-06-09 20:44:45 -07:00 |
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b4e9e99067
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Delete dump.myforce.0
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2021-06-09 20:44:32 -07:00 |
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72ae091aa6
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Merge remote-tracking branch 'upstream/master' into mliap_so3_ver2
To have a fetch
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2021-06-09 20:31:46 -07:00 |
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75fd4e9eec
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update
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2021-06-09 16:59:59 -07:00 |
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13b8c63e7a
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Merge branch 'master' into user-dielectric
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2021-06-05 11:14:44 -04:00 |
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b9e9dda1ab
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Updated example input scripts, data files and README
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2021-06-02 12:03:46 -05:00 |
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49536ce02c
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Make compliance.py Python 3 compatible
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2021-06-01 15:15:11 -04:00 |
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c12f7e226b
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More cleanup to fix polarize*, access to the per-atom variables from the Atom class, and updates to doc pages
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2021-06-01 11:22:14 -05:00 |
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30e18a1b76
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Added compute efield/atom and citation for the fixes polarize*
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2021-05-28 16:06:36 -05:00 |
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012003c68a
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Merge branch 'master' into pair_rann
# Conflicts:
# cmake/CMakeLists.txt
# cmake/presets/all_off.cmake
# cmake/presets/all_on.cmake
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2021-05-26 15:17:30 -04:00 |
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9e1db61b41
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Merge branch 'master' into pair-style-nnp
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2021-05-25 16:44:55 -04:00 |
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2e6a0112d3
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update URLs in some more files
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2021-05-24 16:19:37 -04:00 |
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2a33e3674e
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Added src/USER-DIELECTRIC and examples/USER/dielectric
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2021-05-24 14:51:28 -05:00 |
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63ecb77303
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fix some more URLs
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2021-05-24 15:38:27 -04:00 |
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61b1126c3d
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Merge branch 'master' into pair_rann
# Conflicts:
# cmake/CMakeLists.txt
# src/Makefile
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2021-05-24 12:21:04 -04:00 |
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10961b8cb6
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update to upstream
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2021-05-21 16:15:31 -04:00 |
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fb3fdb43a1
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Tweak ASPHERE examples
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2021-05-17 10:27:57 -06:00 |
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640a46ec3f
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Fix broken examples
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2021-05-17 08:29:54 -06:00 |
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31a55f1f76
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
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2021-05-16 22:54:29 +02:00 |
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aa6c6169a8
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Merge branch 'master' into prepare-clang-format
# Conflicts:
# src/KOKKOS/nbin_kokkos.h
# src/KOKKOS/nbin_ssa_kokkos.h
# src/MOLECULE/bond_fene_expand.h
# src/USER-DPD/nbin_ssa.h
# src/USER-DPD/nstencil_half_bin_2d_ssa.h
# src/USER-DPD/nstencil_half_bin_3d_ssa.h
# src/USER-INTEL/nbin_intel.h
# src/USER-MISC/fix_propel_self.cpp
# src/USER-OMP/npair_full_multi_old_omp.h
# src/USER-OMP/npair_half_multi_old_newton_omp.h
# src/USER-OMP/npair_half_size_multi_newtoff_omp.h
# src/USER-OMP/npair_halffull_newtoff_omp.h
# src/USER-OMP/npair_halffull_newton_omp.h
# src/USER-OMP/npair_skip_omp.h
# src/main.cpp
# src/nbin_standard.h
# src/npair_full_multi_old.h
# src/npair_halffull_newtoff.h
# src/npair_halffull_newton.h
# src/npair_skip.h
# src/npair_skip_respa.h
# src/npair_skip_size.h
# src/npair_skip_size_off2on.h
# src/npair_skip_size_off2on_oneside.h
# src/nstencil_full_bin_2d.h
# src/nstencil_full_bin_3d.h
# src/nstencil_full_ghost_bin_2d.h
# src/nstencil_full_ghost_bin_3d.h
# src/nstencil_full_multi_2d.h
# src/nstencil_full_multi_3d.h
# src/nstencil_full_multi_old_2d.h
# src/nstencil_full_multi_old_3d.h
# src/nstencil_half_bin_2d_newtoff.cpp
# src/nstencil_half_bin_3d_newtoff.cpp
# src/nstencil_half_bin_3d_newton_tri.h
# src/nstencil_half_ghost_bin_2d_newtoff.cpp
# src/nstencil_half_ghost_bin_2d_newtoff.h
# src/nstencil_half_ghost_bin_3d_newtoff.cpp
# src/nstencil_half_ghost_bin_3d_newtoff.h
# src/nstencil_half_multi_2d.h
# src/nstencil_half_multi_2d_newtoff.h
# src/nstencil_half_multi_2d_newton_tri.h
# src/nstencil_half_multi_2d_tri.h
# src/nstencil_half_multi_3d_newtoff.h
# src/nstencil_half_multi_3d_newton_tri.h
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2021-05-14 15:24:02 -04:00 |
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f121ae98d6
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forget to update
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2021-05-13 11:34:58 -04:00 |
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53397fdda5
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Expand MDI examples README
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2021-05-12 18:31:10 -04:00 |
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64fa70f8d2
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Add USER-MDI README file
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2021-05-12 18:31:10 -04:00 |
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a731c43000
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Add docs for mdi_engine command and fix
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2021-05-12 18:31:10 -04:00 |
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2854ea29a5
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Add additional MDI examples
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2021-05-12 18:31:10 -04:00 |
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4a0b71f66b
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Add MDI example
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2021-05-12 18:31:10 -04:00 |
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e960674cea
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Merge pull request #2536 from jtclemm/multi_epcc
Add faster method for multi neighboring
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2021-05-12 15:25:28 -04:00 |
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8617770592
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Merge pull request #2511 from samueljmcameron/fix_bd_sphere
Add USER-BROWNIAN package
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2021-05-12 13:51:42 -04:00 |
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1d10147cb6
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reformat and shorten new example inputs
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2021-05-12 07:53:18 -04:00 |
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986a72ff6e
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remove executable permissions on non-executable files
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2021-05-12 06:32:58 -04:00 |
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f0e52981f2
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Merge branch 'master' into multi_epcc
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2021-05-12 06:16:52 -04:00 |
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824dff8181
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update .clang-format file from src and update files
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2021-05-11 22:48:06 -04:00 |
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d8291eea7b
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Merge branch 'master' into prepare-clang-format
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
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2021-05-11 21:49:48 -04:00 |
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57a2f21757
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add/update USER-BROWNIAN example inputs and logs
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2021-05-11 21:13:10 -04:00 |
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92c5951d6c
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Update to latest changes from upstream
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2021-05-11 17:49:03 -04:00 |
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e1b2235d36
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Update py_nve.py
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2021-05-10 18:42:27 -04:00 |
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147e561dca
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Update in.fix_python_invoke_neighlist example
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2021-05-07 12:51:58 -04:00 |
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49a7bb57de
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add clang-format support to plugin examples
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2021-05-05 23:51:12 -04:00 |
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f12f9166a5
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Resolving merge conflicts, updating URLs
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2021-05-05 11:19:44 -06:00 |
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6f5881e151
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Merge pull request #2710 from msvbd/dpd_extended
Generalized DPD pair styles: dpd/ext and dpd/ext/tstat
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2021-04-30 13:26:16 -04:00 |
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b88cdd6890
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Corrected implementation of ellipsoidal dynamics, made ashared base class for the time-integrators, templated the time-integrators (and so reversed changes that this PR had previously made to random_mars src files), combined docs of all three integrators.
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2021-04-30 16:30:04 +01:00 |
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