91d958faff
Remove Kokkos deprecated code
2020-04-24 12:52:46 -06:00
756724c9e3
Merge branch 'kk_compute_orientorder_atom' of ssh://github.com/stanmoore1/lammps into kk_compute_coord_atom
2020-04-24 12:50:40 -06:00
261b826cfc
Remove Kokkos deprecated code
2020-04-24 12:49:50 -06:00
85f1cb6a63
Merge branch 'kk_compute_orientorder_atom' of ssh://github.com/stanmoore1/lammps into kk_compute_coord_atom
2020-04-24 12:22:42 -06:00
9c081cf439
Update from master
2020-04-24 12:18:53 -06:00
08dc8e860e
Merge pull request #2022 from junghans/github-template-comments
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github templates: turn comments in real comments
2020-04-24 13:18:40 -04:00
47b06cf541
github templates: turn comments in real comments
2020-04-24 09:51:13 -06:00
0711232e5b
Merge pull request #2000 from akohlmey/polymorphic-update
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Update for pair style polymorphic from Xiaowang Zhou
2020-04-20 17:14:47 -04:00
dcc074215d
fix inconsistent memory allocate/free
2020-04-20 06:04:33 -04:00
42203bbc35
fix two more typos
2020-04-19 16:37:52 -04:00
a7391d1e36
small corrections/updates for the polymorphic pair style docs
2020-04-18 10:14:38 -04:00
ba66f05a04
some reformatting and minor cleanup of the documentation
2020-04-16 19:14:42 -04:00
42a59921f9
fix spelling issues
2020-04-16 19:04:26 -04:00
21e9db6bdf
Merge branch 'master' into polymorphic-update
2020-04-16 18:18:41 -04:00
4fa0186b68
update docs to cleanly translate
2020-04-16 18:17:38 -04:00
0766350838
Merge pull request #2003 from stanmoore1/dpd_error
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Remove unnecessary error check in USER-DPD fix rx
2020-04-16 16:49:29 -04:00
b3c7c1f93c
utils.h is not used anymore
2020-04-16 15:13:21 -04:00
19ac94e9a3
remove @timmattox as a code owner of USER-DPD
2020-04-16 13:15:41 -04:00
ca64c461ff
Remove unnecessary error check in USER-DPD fix rx
2020-04-16 08:19:50 -06:00
fa6922a182
Merge pull request #1994 from akohlmey/next_lammps_version
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Update version string for next patch release
2020-04-15 16:09:52 -04:00
bc3fe80b28
Merge pull request #1997 from giacomofiorin/lepton-windows-defines
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Defines to build and link the Lepton library with MSVC
2020-04-15 15:56:48 -04:00
4c870be433
Merge pull request #1957 from david-castillo/restrain_lbound
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add moving bond restraints and a lower bound only bond restraint
2020-04-15 14:45:07 -04:00
c5f6b5c687
one more whitespace fix
2020-04-15 14:29:37 -04:00
adf9602ae3
whitespace fix
2020-04-15 14:26:37 -04:00
01f97f1936
Merge branch 'master' into restrain_lbound
2020-04-15 14:24:47 -04:00
45aa6bd3b8
add @giacomofiorin as code owner for USER-COLVARS.cmake
2020-04-15 14:22:29 -04:00
6bac08322c
Merge pull request #1999 from ellio167/kim_match_pairs
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Add support for "internal" kim_match_pairs command
2020-04-15 12:43:34 -04:00
e7cce60777
Merge pull request #1889 from lammps/change-box-error-check
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delay change_box error check with existing per-atom restart data
2020-04-15 12:29:32 -04:00
08d01e6417
import polymorphic pair style update from Xiaowang Zhou
2020-04-15 11:31:30 -04:00
529e905816
Fixup error message
2020-04-15 10:29:55 -05:00
0796a7032e
same doc change for "lbond" option
2020-04-15 11:22:48 -04:00
e94576ecd8
update documentation as requested
2020-04-15 11:21:25 -04:00
80311891f1
Merge pull request #1874 from akohlmey/generalize-box-change-detect
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Refactor handling of box change information from fixes
2020-04-15 11:14:45 -04:00
1cee0cf50e
Changes and Comments in response to Axel's suggestions
2020-04-15 09:58:05 -05:00
3deece168e
Merge branch 'master' into next_lammps_version
2020-04-15 05:08:53 -04:00
f5733ccd75
Merge pull request #1978 from evoyiatzis/class2_cs
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core-shell version of pair_style lj/class2/coul/long
2020-04-14 22:59:46 -04:00
567147cf78
rename DEFAULT_PACKAGES to STANDARD_PACKAGES and ACCEL_PACKAGES to SUFFIX_PACKAGES for clarity
2020-04-14 22:37:39 -04:00
e5842e9236
must handle CORESHELL as ACCEL_PACKAGE because of the dependency tracking
2020-04-14 22:34:07 -04:00
8a6664eb4c
make coulomb part of lj/class2/coul/long/cs consistent with lj/cut/coul/long
2020-04-14 22:05:19 -04:00
b718db385d
Add support for "internal" kim_match_pairs command
2020-04-14 20:38:47 -05:00
48c136b784
fix whitespace issue
2020-04-14 21:37:34 -04:00
5951555de4
Merge branch 'master' into next_lammps_version
2020-04-14 21:36:59 -04:00
c50e49fce4
Merge pull request #1967 from julient31/neel-rework
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Correct issue #1959 and correct issues in SPIN package
2020-04-14 21:32:37 -04:00
8daf0c56d2
Merge pull request #1996 from lammps/junghans_more_cmake_cleanup
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cmake: improve exported target
2020-04-14 21:25:12 -04:00
267654297c
Merge pull request #1998 from rbberger/cmake_fix_python_install
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Fix installation of lammps.py with CMake
2020-04-14 21:21:07 -04:00
0afa9e60f9
Fix installation of lammps.py with CMake
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In CMake 3.10 the PythonInterp module defined PYTHON_EXECUTABLE. Since CMake
3.12 the Python module defines Python_EXECUTABLE.
Since the rest of the code was using PYTHON_EXECUTABLE and expecting it to be
defined, no matter which version, in newer versions of CMake this would lead to
lammps.py not being installed at all.
This commit changes the LAMMPS CMake files to use the newer variable name and
sets Python_EXECUTABLE in older versions if needed.
2020-04-14 17:45:49 -04:00
5eee4cb1ba
C4 JT 041420
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- reran all SPIN examples
2020-04-14 15:44:15 -06:00
250e3892f8
Add defines to build Lepton with MSVC and CMake
2020-04-14 17:40:50 -04:00
677f5cc997
C3 JT 041420
2020-04-14 15:22:20 -06:00
f5eb1c5b9d
cmake: OpenMP dep is not public
2020-04-14 15:15:16 -06:00
