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b9bab9d5e3
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fix logic error introduced in PR #3408
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2022-08-27 10:23:58 -04:00 |
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3ec06dd2c2
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improve some error messages in comm, domain and region.cpp
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2022-08-19 21:06:00 +08:00 |
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91b98484ad
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modernize and simplify
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2022-08-11 03:45:36 -04:00 |
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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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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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1a04eabb5e
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merge in current develop
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2022-03-11 10:01:25 -07:00 |
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f5626a2b9d
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Few more merge conflicts
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2021-11-02 12:29:49 -06:00 |
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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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8bf016eaef
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use references when looping over fixes from list
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2021-10-25 21:41:57 -04:00 |
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d0416757b7
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simplify using new APIs
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2021-10-24 18:00:15 -04:00 |
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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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898f8086db
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consolidate binary() member functions of Comm and Balance into utils::binary_search()
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2021-09-06 16:58:14 -04:00 |
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75cb6fc51b
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added support for LAMMPS as MDI AIMD driver
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2021-09-02 17:52:10 -06:00 |
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d2984d2615
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Merge branch 'master' into BPM
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2021-08-27 10:04:04 -06:00 |
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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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d4de26f6ef
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fix whitespace issues
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2021-08-19 17:28:48 -04:00 |
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2119b59d97
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code documentation tweaks
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2021-08-18 15:49:23 -06:00 |
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1c5bdadcfb
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small alteration to code that assigns grid pts to procs
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2021-08-18 15:43:54 -06:00 |
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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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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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cac634076d
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ensuring cutusermulti always created
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2021-05-12 08:59:12 -06:00 |
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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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6b45f9052f
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small fixed and error checking
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2021-05-12 08:55:00 -04:00 |
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9ef0395313
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whitespace fixes
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2021-05-12 06:30:52 -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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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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d1941392d3
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disable clang-format for all existing .cpp files (for now)
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2021-05-05 23:53:38 -04:00 |
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22e93468d6
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simplify code by appling varargs messages and warnings
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2021-05-05 18:19:12 -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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fa386c0e96
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Changing how multi/cutoff works, changing collection indexing in user args
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2021-05-04 17:12:17 -06:00 |
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6b04ebd617
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Merge branch 'master' into varargs-log-error-functions
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2021-04-26 13:27:58 -04:00 |
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7e7a448a08
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remove the old versions of the utility function and use the new
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2021-04-24 21:33:36 -04:00 |
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d2cdb318ab
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apply new logmesg() overload to a bunch of cases.
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2021-04-21 23:38:45 -04:00 |
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bd6dd658d6
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Updating to master, misc style changes
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2021-04-07 17:21:16 -06:00 |
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d54384dd91
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Merge branch 'master' into multi_epcc
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2021-04-07 16:34:01 -06:00 |
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ece2433208
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use utils::strdup() for duplicating strings
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2021-03-15 17:55:19 -04:00 |
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58e4938b0f
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Updating examples, updating multi in info, fixing memory issues in comm/neighbor
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2021-02-08 10:50:57 -07:00 |
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de1205c5a9
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Fixing misc valgrind issues, particularly with resizing ncollections
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2021-02-07 20:38:24 -07:00 |
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77402bdbc8
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avoid overflows when computing memory offsets and allocating memory
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2021-02-06 18:14:27 -05:00 |
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56841ba912
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Fixing typo in pair gran, fixing bugs in communication and neighbor
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2021-02-02 18:05:19 -07:00 |
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852e4efc6f
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Updating documentation/examples, patching comm_modify cutoff/multi command
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2021-02-02 14:50:30 -07:00 |
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d79a2c3a02
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Adding collection array, new user arguments, and multi communication
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2021-02-02 09:39:13 -07:00 |
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a25c77e512
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Misc comments, typos, and cleanups
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2021-01-12 23:04:14 -07:00 |
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d5f34f6296
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Examples and documentation
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2021-01-08 15:27:23 -07:00 |
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5ae32146eb
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Adding full neighbor list check for new reduced comm
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2020-12-20 17:18:32 -07:00 |
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0a36baf86d
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Updating naming in other classes
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2020-12-19 17:51:09 -07:00 |
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c1e3bc5794
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Updating to master
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2020-12-19 15:28:02 -07:00 |
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6308248a44
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Replacing binsizex with multi2 version
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2020-11-30 20:55:04 -07:00 |
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8a0dac90ca
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Removing redundant k variables in npair
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2020-11-29 19:57:14 -07:00 |
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2c79fbebe8
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Adding todo note for comm, testing for full nlist
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2020-11-29 17:48:43 -07:00 |
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