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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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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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95285f9365
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
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2021-04-26 23:52:59 +02:00 |
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49b540381c
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Merge branch 'master' into dpd_extended
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2021-04-23 15:03:03 -04:00 |
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b2bfb26161
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Merge https://github.com/lammps/lammps into pair_rann
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2021-04-23 10:35:35 -05:00 |
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3ac2b36993
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add link to Commands_pair.rst
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2021-04-23 16:10:00 +02:00 |
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2e63d126e3
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change dir to MISC
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2021-04-23 15:49:11 +02:00 |
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ad02e9df69
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Added example of SPCE hydration, LJ + q
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2021-04-22 18:40:45 +02:00 |
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56be6d8ec2
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Merge branch 'master' of github.com:lammps/lammps into pair-style-nnp
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2021-04-20 23:20:14 +02:00 |
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58549fa10d
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Merge branch 'clean-master2' of github.com:julient31/lammps into STT2
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2021-04-19 17:32:16 -06:00 |
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f2096ded96
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- improved design of test_problem
- cleaned up langevin/spin
- started doc for stt and hexaniso
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2021-04-19 17:09:53 -06:00 |
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668b74bc09
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Merge branch 'master' into spin-kokkos
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2021-04-16 17:08:38 -04:00 |
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f115b8ba2f
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Merge branch 'master' into dpd_extended
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2021-04-16 14:16:53 +02:00 |
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9031c23080
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add extended dpd (dpdext & dpdext_tstat)
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2021-04-16 14:14:18 +02:00 |
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75579fc100
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take advantage of having the common Command base class to unify code paths
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2021-04-14 07:05:00 -04:00 |
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b53822da46
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provide Command base class in command.h for deriving command styles from
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2021-04-13 17:47:00 -04:00 |
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9bc353e5bd
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Merge pull request #2585 from tc387/charge_regulation2
Add fix charge/regulation to MC package
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2021-04-12 18:49:03 -04:00 |
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455bb933c8
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adding modifications for more than one fix langevin/spin in fix nve/spin
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2021-04-12 16:18:22 -06:00 |
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0ca9f2e8a0
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Merge pull request #2699 from yury-lysogorskiy/feature/user-pace
USER-PACE pair_style integration into LAMMPS
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2021-04-12 17:05:40 -04:00 |
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e95cbf618b
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Merge branch 'master' into charge_regulation2
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2021-04-12 09:55:15 -04:00 |
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7d95943b7e
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increased bin size in example input file to avoid dangerous builds
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2021-04-12 01:46:39 -05:00 |
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