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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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e36a360891
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error out when reduced units are used with fix ipi or fix pimd
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2022-11-24 13:17:11 -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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12baf65d7a
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correct implementation of quartic potential in pair style list
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2022-10-21 02:25:40 -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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f2b3d8e8c3
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use morse interaction energy from bond style morse not pair style morse
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2022-10-04 07:02:44 -04:00 |
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74d5893dd9
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enable and apply clang-format
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2022-10-04 05:06:31 -04:00 |
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6a97ca2468
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better error checking and reporting
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2022-10-04 05:02:46 -04:00 |
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a3c676015b
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store squared cutoff as documented
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2022-10-04 04:13:42 -04:00 |
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5508c7f25e
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Bug fix for pair_style list quartic.
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2022-10-04 13:27:32 +08:00 |
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ed8e317ef6
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Added quartic function for explicit pair interaction in pair_style list.
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2022-10-04 10:40:32 +08:00 |
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67f6adebb7
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whitespace fixup with dynamic casts
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2022-09-10 13:26:38 -04:00 |
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22709b73e2
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auto loop optimizations
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2022-09-10 03:07:28 -04:00 |
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92c9614429
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Merge branch 'develop' into refactor-find-xxx
# Conflicts:
# src/atom.h
# src/compute_centroid_stress_atom.cpp
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2022-08-17 15:48:26 -04:00 |
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29e1595fb4
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Updates to BibTeX syntax for anything that needed it that I caught and fixes to address Issue #2597
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2022-08-13 04:51:54 -05:00 |
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894b053ef4
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silence compiler warnings
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2022-08-12 17:13:44 -04:00 |
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681ad88f08
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rename fix STORE_LOCAL to STORE/LOCAL for consistency
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2022-08-05 02:57:38 -04:00 |
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40920ac6e1
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improved error messages for duplicate or missing entries in manybody potential files
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2022-07-22 12:41:43 -04:00 |
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3c99a6b5c4
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Correctly handle the dependency of pair style (and fix) srp/react on the MC package
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2022-07-20 17:01:44 -04:00 |
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7b7ae55238
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small fix, idcreate and idbreak are already deleted in destructor now
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2022-07-08 15:39:30 -04:00 |
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d2ffc9dae8
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programming style updates, fix memory leaks and uninitialized access
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2022-07-07 15:57:14 -04:00 |
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63c048ef59
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simplify, modernize, and apply clang-format
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2022-07-07 13:32:04 -04:00 |
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4aa0132860
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cosmetic
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2022-07-07 10:35:34 -04:00 |
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b7457fe834
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Initial commit for pair style srp-react files
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2022-07-06 10:55:14 -04:00 |
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d4ea5ca49e
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more clang-tidy fixes after re-running it with added settings
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2022-05-14 07:18:05 -04:00 |
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90797d53d9
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one more batch of clang-tidy fixes
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2022-05-13 23:21:14 -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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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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e1a2423f2e
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modernize, initialize pointers, apply clang-format
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2022-04-12 11:06:18 -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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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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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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92a968a8a9
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Resolving merge conflicts
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2022-03-23 14:28:27 -06:00 |
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9bbd1df57b
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another chunk of neighbor list request updates
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2022-03-09 19:49:08 -05:00 |
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39f8ccdb42
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Fixing an overlooked merge conflict
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2022-02-18 15:33:26 -07:00 |
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642b1e25f6
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Updating to develop
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2022-02-18 13:58:38 -07:00 |
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3bc91386a0
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apply include statement updates suggested by running IWYU
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2022-02-13 19:39:15 -05:00 |
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d6a6f64576
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Merge pull request #3090 from rbberger/modernize_use_override
Modernize to C++11: use override
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2022-01-28 14:10:45 -05:00 |
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c93fba5e2d
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make certain that offset is always initialized
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2022-01-22 16:45:38 -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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ff3f762499
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Apply override to Fix classes
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2022-01-21 14:45:53 -05:00 |
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f83271aa40
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Apply override to Compute classes
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2022-01-21 13:23:36 -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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f5ad91f9fe
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minor tweaks
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2022-01-19 06:28:53 -05:00 |
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0595e4d7cd
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refactor parsing of pair style list parameter file
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2022-01-19 00:24:01 -05:00 |
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439853c4a8
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Moving store/local to an internal fix
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2021-12-10 10:33:52 -07:00 |
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