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f8f2b9542e
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sync with current develop
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2022-04-18 17:29:23 -06:00 |
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36723853c9
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Merge branch 'develop' into BPM
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2022-04-11 12:18:34 -04:00 |
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200b4f13c7
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use dynamic cast instead of c-style cast when casting from base type to derived class
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2022-04-10 18:18:06 -04:00 |
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39b316729b
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use auto type when assigning from cast or using new
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2022-04-10 18:16:36 -04:00 |
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92a968a8a9
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Resolving merge conflicts
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2022-03-23 14:28:27 -06:00 |
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1bba1ca2ae
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fix logic bug
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2022-03-10 05:44:31 -05:00 |
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61f5bbd633
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update logic to avoid stall with neighbor list statistic during final summary
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2022-03-10 05:21:53 -05:00 |
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10f8a597c7
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use proper header for access to Kokkos class.
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2022-03-10 01:11:33 -05:00 |
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26c0b9cf87
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move calculation of number of neighbors to Neighbor class
this allows reusing the code in the ImbalanceNeigh class
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2022-03-09 23:18:28 -05:00 |
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2e2bd37883
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automatically enable intel neighbor list request property for intel pair styles
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2022-03-09 21:19:19 -05:00 |
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72cbffee7d
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fix bug looking up neighbor lists
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2022-03-06 05:24:15 -05:00 |
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4781a4c8c6
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style update
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2022-03-06 04:49:08 -05:00 |
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e9bcde4b58
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more openmp neighbor list function to Neighbor class
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2022-03-06 04:48:37 -05:00 |
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cc618264a0
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allow only one accelerator type enabled for neighbor lists
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2022-03-06 04:47:22 -05:00 |
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54e667e491
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convert more styles to use new neighbor list request API, apply clang-format
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2022-03-05 21:44:45 -05:00 |
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f1d695299e
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simplify checking for intel neighbor list requests
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2022-03-05 20:31:56 -05:00 |
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d4272815a3
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add new APIs for creating and manipulating neighbor list requests
also add a few new (delegating) constructors to simplify code
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2022-03-02 21:30:16 -05:00 |
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642b1e25f6
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Updating to develop
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2022-02-18 13:58:38 -07:00 |
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6a0e93a18a
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convert more style_creators to use local static functions
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2022-02-11 18:29:52 -05:00 |
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d7f7835069
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Fix merge conflicts, minor style fixes
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2021-11-01 18:13:06 -06:00 |
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56cd66a6c3
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Merge branch 'master' into parse-logical-keyword
# Conflicts:
# src/H5MD/dump_h5md.cpp
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2021-09-29 23:05:59 -04:00 |
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dd4b195552
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silence compiler warnings
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2021-09-29 14:04:01 -04:00 |
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8a35ea05bc
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Prevent neigh list from copying "unique" stencil/bin
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2021-09-28 15:33:44 -06:00 |
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41a3eccd1c
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apply utils::logical() to more commands
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2021-09-21 07:48:50 -04:00 |
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bca99f684f
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update list and order of include files from include-what-you-use analysis
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2021-09-18 14:16:48 -04:00 |
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a71b77c06e
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simplify. use utils::strdup() more.
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2021-09-17 22:51:59 -04:00 |
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f5259f0081
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correct non-portable code
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2021-09-07 00:58:16 -04:00 |
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bb720626e3
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Adding files for BPM
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2021-08-27 09:22:56 -06:00 |
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b2b807f9b9
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initial version of AMOEBA/HIPPO force field files
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2021-08-25 13:53:31 -06:00 |
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89de4eb7c4
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make sure that coul/exclude special neighbors are always flagged
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2021-08-19 04:23:26 -04:00 |
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e248faa9bd
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silence compiler warnings
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2021-05-28 14:09:41 -04:00 |
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09c19a936b
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update URLs in source code and manual
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2021-05-24 14:18:20 -04:00 |
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d24d501a4a
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Merge branch 'master' into prepare-clang-format
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2021-05-14 20:38:54 -04:00 |
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250fbd24a3
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neighbor build check on copyflag mis-indexed
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2021-05-14 16:06:56 -06:00 |
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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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4ccb17ab62
|
whitespace
|
2021-05-12 13:49:41 -04:00 |
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7f94712839
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Explicitly defining default ncollections
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2021-05-12 08:17:14 -06:00 |
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b49d91fa8e
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add contributing author and citation DOIs
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2021-05-12 07:00:47 -04:00 |
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9ef0395313
|
whitespace fixes
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2021-05-12 06:30:52 -04:00 |
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24075b3281
|
remove unused variable declarations
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2021-05-12 06:24:19 -04:00 |
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d1941392d3
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disable clang-format for all existing .cpp files (for now)
|
2021-05-05 23:53:38 -04:00 |
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f12f9166a5
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Resolving merge conflicts, updating URLs
|
2021-05-05 11:19:44 -06:00 |
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fa386c0e96
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Changing how multi/cutoff works, changing collection indexing in user args
|
2021-05-04 17:12:17 -06:00 |
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ef858ae70f
|
silence compiler warnings
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2021-04-23 16:19:57 -04:00 |
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3b2c0871cc
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add and use Neighbor::modify_params() convenience function
|
2021-04-13 14:53:03 -04:00 |
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bd6dd658d6
|
Updating to master, misc style changes
|
2021-04-07 17:21:16 -06:00 |
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d54384dd91
|
Merge branch 'master' into multi_epcc
|
2021-04-07 16:34:01 -06:00 |
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0bde6c82a3
|
remove newton bond off check again
|
2021-03-31 14:40:54 -04:00 |
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183b30abd7
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use strmatch() consistently to detect respa and verlet runstyles with optional suffix
|
2021-03-30 18:30:22 -04:00 |
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e22f9c4768
|
newton bond off does not work with atom style template currently
|
2021-03-30 16:48:51 -04:00 |
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