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27954609b8
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Disallow newton on with full neigh list
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2024-10-04 15:25:38 -06:00 |
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dca156eacc
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Edits to devleoper doc files 2
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2024-08-15 17:12:39 -06:00 |
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45e90ac2f8
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must not access thermo class, if not yet created
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2024-08-08 04:37:59 -04:00 |
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118fa8e209
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must reset "eval_in_progress[]" flags to avoid bogus circular dependency errors
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2024-06-03 07:47:59 -04:00 |
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6442e05988
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even more define to static constexpr conversions
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2024-01-25 02:17:28 -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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c7973ccc9b
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initialize all pointers in initializer list to null
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2023-09-02 19:36:49 -04:00 |
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6f3b74b53e
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plug memory leak
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2023-09-02 18:49:35 -04:00 |
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401133acec
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count lines during scanning for triple quotes
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2023-08-25 21:17:41 -04:00 |
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c5da0581e6
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add support for input file line numbers
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2023-08-25 16:11:46 -04:00 |
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d1980031ef
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remove more duplicate semicolons
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2023-06-25 06:02:17 -04:00 |
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0d8623c3f2
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simplified logic from clang-tidy
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2023-03-26 21:33:37 -04:00 |
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4ed49d2f21
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make Input::file(const char *) function safe for passing a null pointer
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2023-03-07 13:44:34 -05:00 |
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6365af8704
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Merge branch 'develop' into distributed-grids
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2022-12-01 10:38:55 -05:00 |
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72140e2608
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Merge branch 'develop' into collected-small-changes
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2022-11-30 08:52:13 -05:00 |
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5f3b719a7d
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improve error messages
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2022-11-30 08:09:12 -05:00 |
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4ba604fd37
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Merge branch 'collected-small-changes' into reset-command
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2022-11-23 13:38:40 -05:00 |
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2b9d5c6c9a
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rename reset metacommands to use reset_atoms
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2022-11-21 17:20:29 -05:00 |
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13fcbeda18
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remove "box" command
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2022-11-21 13:46:59 -05:00 |
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e8471790bc
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route renamed reset sub-commands through Deprecated class to print warning
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2022-11-17 23:11:41 -05:00 |
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0635a46891
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generalize meta command processing. make better use of std::string class
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2022-11-17 22:09:52 -05:00 |
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612a2b2711
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add reset meta-command
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2022-11-17 21:39:32 -05:00 |
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b4118c51cc
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merged in current master
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2022-11-04 08:22:18 -06:00 |
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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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e0181e8c46
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refactor handling of pair/only flag for GPU and KOKKOS
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2022-10-28 16:38:11 -04:00 |
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5824534ac6
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use symbolic constants Comm::BRICK / Comm::TILED for Comm::style
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2022-10-27 07:03:25 -04:00 |
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7bf4c8d54a
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more debugging
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2022-10-26 15:14:06 -06:00 |
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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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3a8abecd68
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fix typo
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2022-10-16 16:56:29 -04:00 |
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bf8a9d07a7
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simplify
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2022-10-16 16:37:39 -04:00 |
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26f05b336f
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Merge pull request #3477 from stanmoore1/kk_bugfixes
Fix several minor issues
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2022-10-10 17:27:47 -04:00 |
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5c82c8a8a3
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improve error messages
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2022-10-10 16:37:20 -04:00 |
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185639f077
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must use utils::inumeric() for parsing integers
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2022-10-10 16:37:04 -04:00 |
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5582dbc3d3
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handle the case of using -pk pair/only on
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2022-10-08 10:33:08 -04:00 |
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4998c065da
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clang-tidy fixes
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2022-09-10 03:18:06 -04:00 |
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4f3f2412fb
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replace Input::readtype() with utils::expand_type()
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2022-09-05 06:16:18 -04:00 |
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bb45137b1a
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small tweaks to support type labels with single and double quotes. add tests
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2022-09-03 19:04:24 -04:00 |
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2307436b76
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improve flow of control and remove redundant checks
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2022-09-03 10:40:17 -04:00 |
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9b41d28947
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Merge branch 'develop' into type-labels
# Conflicts:
# doc/src/dihedral_coeff.rst
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2022-09-01 21:09:04 -04:00 |
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9edb1ee928
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improved error messages in input.cpp
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2022-08-18 21:14:39 +08:00 |
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ff9c02f053
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improved error messages in pair and input.cpp
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2022-08-18 21:08:36 +08:00 |
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9beb60c713
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improve error messages in change_box,create_box,domain,input,lattice and neighbor.cpp
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2022-08-18 11:22:36 +08:00 |
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eb4ce25f03
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finish rolling back multiple maps feature
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2022-08-09 11:32:29 -04:00 |
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363b80f85c
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begin unfeaturing multiple label maps feature
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2022-08-09 01:01:31 -04:00 |
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f9717049b1
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Merge branch 'develop' into type-labels
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2022-08-08 17:16:50 -04:00 |
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4a747fa40c
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Merge branch 'develop' into amoeba
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2022-07-13 03:14:39 -04:00 |
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d327a4c512
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whitespace
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2022-06-30 05:57:52 -04:00 |
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7546955046
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optimizations to input class for reading very long lines
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2022-06-29 15:10:03 -06:00 |
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