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5dff36aa43
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apply clang-format
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2024-07-31 06:49:55 -04:00 |
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27266e72c4
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Merge pull request #3984 from lammps/general-triclinic
Add suppport for general triclinic simulation boxes and systems
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2024-04-16 21:04:59 -04:00 |
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877d6e7f86
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remove whitespace
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2024-04-08 10:49:53 -06:00 |
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1a019889f2
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more doc page and thermo edge vector modifications
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2024-04-05 16:22:54 -06:00 |
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af88cec22d
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relax error check on fixes that produce variable size vectors/arrays
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2024-04-05 15:12:46 -06:00 |
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d615d8053b
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support for general tri edge vectors in thermo output
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2024-04-05 14:31:53 -06:00 |
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905ceb98f1
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merge in current develop
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2024-04-05 09:36:29 -06:00 |
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66d042a0ee
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make checks for exceeding length of variable-length vectors more consistent
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2024-04-04 14:11:13 -06:00 |
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30f330718a
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more consistent error checks on variable length global vecs and arrays
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2024-03-29 16:53:18 -06:00 |
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dbdcfc5c97
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Merge branch 'develop' into general-triclinic
# Conflicts:
# src/atom.cpp
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2024-02-06 19:21:50 -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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7905e5d146
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Merge branch 'develop' into general-triclinic
# Conflicts:
# src/atom.cpp
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2024-01-29 21:05:21 -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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45372937db
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loads of whitespace fixes
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2023-12-01 14:52:47 -05:00 |
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18c5cdb327
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doc page for thermo output difference with triclinic/general
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2023-11-21 15:03:32 -07:00 |
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1c4ab13f01
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merge with current develop
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2023-10-20 13:31:32 -06:00 |
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02b9bdd639
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fix uninitialized data access
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2023-10-03 17:49:55 -04:00 |
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6f01b27e7e
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add general triclinic pressure tensor to thermo_style
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2023-09-05 16:50:38 -06:00 |
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26ef4065da
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add image_fname string for caching the last active dump image filename pattern
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2023-08-29 19:22:56 -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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23bc3abe18
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add option to cache the current line number of the input file or buffer
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2023-08-24 21:20:49 -04:00 |
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a6767c85b0
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apply clang-format
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2023-08-04 12:11:59 -04:00 |
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2711917a6e
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grammar
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2023-08-02 07:01:30 -04:00 |
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cbee2dd86d
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Merge remote-tracking branch 'github/develop' into collected-small-fixes
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2023-07-21 17:27:06 -04:00 |
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cccc362b3f
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improve error messages
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2023-07-21 11:28:09 -04:00 |
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2da908190b
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make error messages consistent and improve their grammar
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2023-07-21 11:24:57 -04:00 |
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c7996b506a
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make use of Compute::is_initialized() and Compute::init_flags()
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2023-07-20 20:31:48 -04:00 |
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36cac1e83d
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make sure the field_data vector size always matches the size of the keywords vector
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2023-06-08 12:45:41 -04:00 |
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491e152289
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add API to library interface to access last thermo data
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2023-06-07 16:21:01 -04:00 |
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620cca34d4
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add accessor to nfield, make certain field types are initialized early
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2023-06-07 15:19:13 -04:00 |
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b81b1f5ecc
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switch dump yaml/netcdf thermo output to use new caching API. remove old API.
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2023-06-06 22:40:13 -04:00 |
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49ac79fcdd
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change error checks for computes that are not current
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2023-05-08 08:55:40 -06:00 |
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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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b30ce3ff32
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next round of IWYU updates
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2022-12-12 01:07:46 -05:00 |
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27a93f12d5
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simplify and make test more specific
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2022-10-31 15:00:37 -04:00 |
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39a6a27066
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Replaced "not" with "!" and "and" with "&&" (Windows builds?)
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2022-10-30 18:25:16 -05:00 |
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745f90cb71
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merged conflicts in thermo.cpp
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2022-10-30 14:34:43 -05:00 |
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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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7c5128881e
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fix bug in thermo_modify format column check
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2022-10-14 04:49:08 -04:00 |
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d5757a976e
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Made bug fix for format consistent with colname
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2022-10-06 21:54:59 -05:00 |
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3b292cd50a
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Fixed bug in thermo_modify and made 2*4 and such work for format fields
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2022-10-06 18:08:06 -05:00 |
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7bba3c516f
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avoid excess string copy in auto loops
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2022-09-01 16:02:32 -04:00 |
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0b047ba22b
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improved error messages in fix_addforce,fix_indent,fix_setforce,fix_temp_rescale,fix_wall_reflect and thermo.cpp
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2022-08-16 20:33:22 +08:00 |
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8e6b0425f7
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apply clang-format
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2022-05-14 18:01:34 -04:00 |
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cfc4dcea3d
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must quote keyword data to avoid issues parsing the YAML data
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2022-04-28 07:34:23 -04:00 |
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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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ce67cb0ca1
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first stab at implementing dump_modify colname
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2022-04-01 07:41:13 -04:00 |
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4042a52db1
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rename header keyword to colname
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2022-03-31 21:58:35 -04:00 |
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