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dcc074215d
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fix inconsistent memory allocate/free
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2020-04-20 06:04:33 -04:00 |
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21e9db6bdf
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Merge branch 'master' into polymorphic-update
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2020-04-16 18:18:41 -04:00 |
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b3c7c1f93c
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utils.h is not used anymore
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2020-04-16 15:13:21 -04:00 |
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ca64c461ff
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Remove unnecessary error check in USER-DPD fix rx
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2020-04-16 08:19:50 -06:00 |
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fa6922a182
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Merge pull request #1994 from akohlmey/next_lammps_version
Update version string for next patch release
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2020-04-15 16:09:52 -04:00 |
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4c870be433
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Merge pull request #1957 from david-castillo/restrain_lbound
add moving bond restraints and a lower bound only bond restraint
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2020-04-15 14:45:07 -04:00 |
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c5f6b5c687
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one more whitespace fix
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2020-04-15 14:29:37 -04:00 |
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adf9602ae3
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whitespace fix
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2020-04-15 14:26:37 -04:00 |
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01f97f1936
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Merge branch 'master' into restrain_lbound
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2020-04-15 14:24:47 -04:00 |
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6bac08322c
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Merge pull request #1999 from ellio167/kim_match_pairs
Add support for "internal" kim_match_pairs command
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2020-04-15 12:43:34 -04:00 |
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e7cce60777
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Merge pull request #1889 from lammps/change-box-error-check
delay change_box error check with existing per-atom restart data
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2020-04-15 12:29:32 -04:00 |
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08d01e6417
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import polymorphic pair style update from Xiaowang Zhou
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2020-04-15 11:31:30 -04:00 |
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529e905816
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Fixup error message
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2020-04-15 10:29:55 -05:00 |
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80311891f1
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Merge pull request #1874 from akohlmey/generalize-box-change-detect
Refactor handling of box change information from fixes
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2020-04-15 11:14:45 -04:00 |
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1cee0cf50e
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Changes and Comments in response to Axel's suggestions
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2020-04-15 09:58:05 -05:00 |
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3deece168e
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Merge branch 'master' into next_lammps_version
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2020-04-15 05:08:53 -04:00 |
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f5733ccd75
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Merge pull request #1978 from evoyiatzis/class2_cs
core-shell version of pair_style lj/class2/coul/long
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2020-04-14 22:59:46 -04:00 |
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8a6664eb4c
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make coulomb part of lj/class2/coul/long/cs consistent with lj/cut/coul/long
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2020-04-14 22:05:19 -04:00 |
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b718db385d
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Add support for "internal" kim_match_pairs command
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2020-04-14 20:38:47 -05:00 |
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48c136b784
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fix whitespace issue
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2020-04-14 21:37:34 -04:00 |
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5951555de4
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Merge branch 'master' into next_lammps_version
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2020-04-14 21:36:59 -04:00 |
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c50e49fce4
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Merge pull request #1967 from julient31/neel-rework
Correct issue #1959 and correct issues in SPIN package
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2020-04-14 21:32:37 -04:00 |
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677f5cc997
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C3 JT 041420
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2020-04-14 15:22:20 -06:00 |
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7d71d5bfb3
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Merge pull request #1981 from akohlmey/simplify_build_choices
Simplify choices for building LAMMPS and add some howtos for CMake and getting stack traces
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2020-04-14 10:57:54 -04:00 |
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da36b252cc
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remove even more trailing whitespace
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2020-04-14 06:08:10 -04:00 |
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dc7853956a
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remove trailing whitespace
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2020-04-14 06:01:07 -04:00 |
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41cfb3ae80
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Merge branch 'master' into neel-rework
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2020-04-14 05:57:08 -04:00 |
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01d2fae925
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Merge pull request #1992 from akohlmey/collected-small-changes
Recover cross compilation with MinGW
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2020-04-13 21:05:56 -04:00 |
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732ae97083
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update version string for next patch release
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2020-04-13 20:50:45 -04:00 |
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11b069ffe7
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use utils::strmatch() in USER-DPD and KOKKOS for safer style matches
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2020-04-13 13:38:38 -04:00 |
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209a3fde71
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use MY_PI everywhere, not M_PI.
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2020-04-13 12:02:53 -04:00 |
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74143a3d89
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Merge branch 'master' into simplify_build_choices
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2020-04-13 11:02:35 -04:00 |
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4abff7b4d3
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Merge pull request #1986 from akohlmey/correct-kokkos-docs
Update docs and CMake scripts for Kokkos 3.0+
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2020-04-13 11:01:26 -04:00 |
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f159c57f08
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Adding square roots to inf norm instances in min.cpp
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2020-04-13 08:15:59 -06:00 |
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38343f3c03
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C2 JT 041320
- removing a commented line
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2020-04-13 08:05:06 -06:00 |
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8fabd79440
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Commit JT 041320
- corrected pair/spin to recover tests
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2020-04-13 07:53:27 -06:00 |
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8b1c6cb279
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Merge branch 'omp4-compat' into correct-kokkos-docs
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2020-04-12 01:44:47 -04:00 |
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5542ad31dc
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Merge branch 'master' into simplify_build_choices
# Conflicts:
# cmake/Modules/Packages/GPU.cmake
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2020-04-11 21:31:07 -04:00 |
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d6624fe444
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Merge pull request #1863 from Vsevak/gpu_hip
HIP back end to GPU package to support AMD GPUs via the ROCm toolkit
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2020-04-11 21:14:45 -04:00 |
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3fa7265ff8
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modernize CMake script code and add version tests for Clang and Intel to switch to OpenMP4 semantics
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2020-04-11 18:35:37 -04:00 |
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7a16567e2a
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better version info output with intel compilers
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2020-04-11 18:34:37 -04:00 |
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832cb57d91
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Merge branch 'master' into fixadapt
# Conflicts:
# doc/src/fix_adapt.rst
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2020-04-11 16:24:13 -04:00 |
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35bb597747
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fix some whitespace issues: replace tabs with spaces, remove DOS/Windows style CR-LF
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2020-04-11 16:11:27 -04:00 |
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e114d814f4
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add rmass_flag and rectify comments and indents
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2020-04-10 16:17:12 -05:00 |
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0608002451
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Remove trailing whitespace
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2020-04-10 15:10:41 -04:00 |
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fc3011c1b2
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complete adapting makefiles and add a minor simplification tweak
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2020-04-09 17:59:42 -04:00 |
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a585142de0
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update makefiles in src/MAKE/MACHINES
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2020-04-09 17:19:27 -04:00 |
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a1992ce01d
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tweak linking procedure to maximize shared code and have the least issues with rpath
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2020-04-09 14:16:00 -04:00 |
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4534096ad1
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Update Install.sh
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2020-04-09 19:44:48 +02:00 |
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52bc8c398d
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move header file to CORESHELL folder
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2020-04-09 19:42:32 +02:00 |
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