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ccea984c4c
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expand pair_only_flag processing to also apply to other suffix handlers
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2022-10-31 21:47:40 -04:00 |
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248b7383c7
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Merge remote-tracking branch 'github/develop' into collected-small-changes
# Conflicts:
# src/DIPOLE/pair_lj_cut_dipole_long.h
# src/OPENMP/fix_nvt_sllod_omp.h
# src/PHONON/fix_phonon.h
# src/SPIN/pair_spin_dipole_cut.h
# src/SPIN/pair_spin_dipole_long.h
# src/STUBS/mpi.h
# src/UEF/fix_nh_uef.h
# src/fix_nvt_sllod.h
# tools/coding_standard/homepage.py
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2022-10-24 15:50:50 -04:00 |
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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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aa0bd180d1
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apply clang-format
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2022-10-14 09:24:49 -04:00 |
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7e6bd892ed
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apply clang-format
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2022-09-10 03:29:32 -04:00 |
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9bd45e70da
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simplify and modernize
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2022-08-11 03:00:37 -04:00 |
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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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26ca371d93
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Merge branch 'develop' into region-lookup-refactor
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2022-04-22 23:47:49 -04:00 |
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a90c632ae2
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fix bug when no other post_force fixes are defined
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2022-04-22 17:10:56 -06:00 |
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8cb47c8504
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change update of dynamic groups to post_force location in timestep
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2022-04-21 15:02:47 -06:00 |
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89195363d6
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whitespace
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2022-04-18 21:20:13 -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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aa4787f604
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complete region handling refactor
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2022-04-16 00:17:39 -04:00 |
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082254455b
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improve confusing error messages
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2022-04-07 00:37:30 -04:00 |
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ab82590437
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change name of 2 new fixes to include amoeba
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2022-03-15 13:40:29 -06:00 |
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1d86b3e270
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reading of bitorsion data file
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2022-03-14 18:08:14 -06:00 |
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bbe065e649
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initial version of fix pitorsion
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2022-03-09 15:37:19 -07:00 |
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5ab9b46b67
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enable and apply clang-format
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2022-02-11 18:04:46 -05:00 |
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a4244eb7ff
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apply simplification suggested by @rbberger
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2022-02-11 17:57:30 -05:00 |
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04cff0b47b
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remove make factory function templates from class and make them static functions
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2022-02-11 16:00:12 -05:00 |
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6b3ddb8a72
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fix logic bug
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2021-10-31 19:29:12 -04:00 |
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2e362b1f3f
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use get_(fix|compute)_by_id() instead of find_(fix|compute)()
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2021-10-20 06:56:46 -04:00 |
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597ee207b1
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remove now obsolete find_fix_by_style() and find_compute_by_style() members
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2021-10-19 12:37:02 -04:00 |
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5b40e4cb38
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new accessor APIs for fixes and computes in Modify plus a few applications
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2021-10-16 06:00:28 -04:00 |
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12406b90a1
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more iwyu header updates
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2021-09-18 21:24:01 -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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ffeeb2f977
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simplify
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2021-09-17 19:54:55 -04:00 |
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3d34ee5087
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Merge branch 'master' into fix-ttm-grid
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2021-08-24 11:34:27 -06:00 |
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0dea376e1a
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restart support for TTM fixes
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2021-08-23 14:56:33 -06:00 |
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f6874af7e5
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pretty
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2021-08-18 18:05:36 -04:00 |
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fe008b93d7
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remove obsolete line
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2021-08-07 10:33:26 -04:00 |
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01f5b7e095
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when creating or replacing a fix or compute, return pointer to new instance
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2021-08-07 10:04:49 -04:00 |
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e789bf8925
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use temporary vector container to avoid explicit delete[]
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2021-08-07 10:04:49 -04:00 |
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93465f98d8
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improve error message
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2021-08-06 13:55:53 -04:00 |
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878795e64a
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bulk rename of remaining USER- packages
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2021-06-29 20:12:59 -04:00 |
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1dc25b0e10
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rename USER-OMP to OPENMP
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2021-06-29 17:48:22 -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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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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e9e0bb71b6
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Use varargs version of Error:all() and Error::one() where applicable
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2021-04-25 21:30:51 -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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a4e2255c87
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Avoid memory leak in case of errors/exceptions in add_fix
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2021-04-20 14:31:11 -04:00 |
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a5ce7c1ac9
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better checks for valid data
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2021-03-18 18:03:26 -04:00 |
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03793d5e4d
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simplify
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2021-03-18 17:23:25 -04:00 |
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fbb3bb14af
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synchronize interface to managing computes in Modify with that of fixes
- add find_compute_by_style()
- add delete_compute(int)
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2021-03-18 17:08:49 -04:00 |
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eb90fcecb1
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simplify using utils::strdup()
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2021-03-16 09:39:45 -04:00 |
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33939a0e26
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Merge branch 'master' into thermo-energy
# Conflicts:
# doc/src/fix_ti_spring.rst
# src/RIGID/fix_rigid_small.cpp
# src/fix_langevin.cpp
# src/fix_temp_berendsen.cpp
# src/fix_temp_csld.cpp
# src/fix_temp_csvr.cpp
# src/fix_temp_rescale.cpp
# src/thermo.cpp
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2021-02-08 15:24:29 -05:00 |
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5196926c28
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remove meaningless typecast
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2021-02-02 14:36:37 -05:00 |
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48f15e485d
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put consistent definition of INVOKED_* constants as enumerator into compute.h
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2021-01-31 20:13:47 -05:00 |
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20650dc7ce
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more changes
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2021-01-21 12:16:39 -07:00 |
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