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a48da5b1e4
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move ewald_const.h to src and apply it to a few more files
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2024-02-13 08:02:32 -05:00 |
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ad855ad7ea
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remove unused constants
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2024-02-05 20:26:23 -05:00 |
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12422ff510
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replace defines with static constexpr declarations
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2024-01-21 15:53:35 -05:00 |
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6069e8cb14
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Merge pull request #3684 from jrgissing/encode_improper_symmetries
Encode improper symmetries
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2023-03-16 12:33:15 -04:00 |
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53056f47ed
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encode improper symmetries
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2023-03-09 22:04:08 -05:00 |
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85f3d6eaef
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Implement born_matrix in pair_lj_class2_coul_cut.cpp
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2023-03-01 10:24:22 +02:00 |
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e59d08ee8b
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Include method declaration in pair_lj_class2_coul_cut.h
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2023-03-01 10:22:07 +02:00 |
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a875ef77cd
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Implement born_matrix in pair_lj_class2.cpp
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2023-02-18 20:23:40 +02:00 |
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863aec4c79
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Include method declaration in pair_lj_class2.h
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2023-02-18 20:21:44 +02:00 |
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864488adbb
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Implement analytical expression for born_matrix in bond_class2.cpp
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2023-02-14 09:39:39 +02:00 |
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115c09ce23
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Include method declaration in bond_class2.h
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2023-02-14 09:37:12 +02:00 |
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27da716852
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getting out of the insurance business :-)
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2023-01-23 16:45:41 -05:00 |
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2132b1d904
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update developer reference text
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2022-10-24 11:08:26 -04:00 |
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cccf3f6f78
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change email for contacting LAMMPS developers, add to homepage checker
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2022-10-20 20:36:03 -04:00 |
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67a210e6d8
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no need to include pair.h
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2022-09-25 06:41:51 -04:00 |
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4bcd43ff90
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correct pair coeff mixing diagnostic for CLASS2 pair styles
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2022-08-28 05:55:33 -04:00 |
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6100e1fafb
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code tweaks and update of examples
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2022-07-07 14:33:19 -06:00 |
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929734ce45
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Merge remote-tracking branch 'github/develop' into amoeba-ak
# Conflicts:
# doc/src/Commands_pair.rst
# src/memory.h
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2022-04-28 20:08:18 -04:00 |
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78c10bac4a
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clang-format update
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2022-04-23 13:08:11 -04:00 |
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115962db88
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Merge branch 'develop' into remove-error-docs-in-header
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2022-04-23 12:46:54 -04:00 |
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79a7d2abf6
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remove error docs from header files
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2022-04-22 23:31:15 -04:00 |
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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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69d9c5187e
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refactor group access, enable and apply clang-format
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2022-04-15 15:29:43 -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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d0af0fa456
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turn off terms for both amoeba and hippo
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2022-04-08 16:51:08 -06:00 |
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25d8950f94
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Merge branch 'develop' into neigh-request-refactor
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2022-03-15 11:39:45 -04:00 |
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0658844e04
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first working version of fix pitorsion
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2022-03-10 16:00:05 -07:00 |
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dfbeedfded
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convert more neighbor list requests to the new API
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2022-03-08 12:39:05 -05:00 |
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2a0e66164e
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enable and apply clang-format
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2022-03-01 21:06:19 -05:00 |
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06beb28d7d
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Apply override to Pair classes
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2022-01-21 16:13:49 -05:00 |
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0d4bbf60e6
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Apply override to Dihedral classes
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2022-01-21 12:48:11 -05:00 |
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557e25d6fb
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Apply override to Bond classes
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2022-01-20 18:00:16 -05:00 |
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4e89488f27
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Apply override to Angle classes
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2022-01-20 17:53:38 -05:00 |
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7387643b87
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Apply override to Improper classes
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2022-01-20 17:36:43 -05:00 |
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97b5651633
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minor correction to angle class2
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2021-12-20 10:33:05 -07:00 |
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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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385220fd4b
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format changes
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2021-09-17 22:50:15 -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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7fcd449864
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apply clang-format to all headers with some exceptions
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2021-05-14 19:16:07 -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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7f034b2ef7
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replace replicated Dihedral/Improper problem warning with function in base class
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2021-05-05 16:54:40 -04:00 |
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a1665fddc8
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next iteration of preparing for clang-format
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2021-04-30 13:51:14 -04:00 |
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980244dd0c
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add protection comments
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2021-04-27 22:31:01 -04:00 |
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df7fe4431f
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make LAMMPS homepage URL and C++ indicator comments consistent
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2021-04-22 21:26:07 -04:00 |
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7b18bc1fec
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correctly handle r-RESPA for lj/class2 and lj/class2/gpu
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2021-04-07 14:26:27 -04:00 |
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183b30abd7
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use strmatch() consistently to detect respa and verlet runstyles with optional suffix
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2021-03-30 18:30:22 -04:00 |
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8f3675344f
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fix bug not ported to USER-OMP version and adapt code style
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2021-02-24 20:18:02 -05:00 |
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1f23fd4829
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convert back to degrees when writing class 2 impropers
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2021-01-11 15:39:12 -05:00 |
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1ba9dd7435
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Apply CENTROID_* constants
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2020-11-16 11:01:31 -05:00 |
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