1295a9ef46
Fixed bugs with special bonds for ellipsoid gpu pair styles
2020-04-25 10:28:18 -05:00
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
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
be1f307384
Add defines to build Lepton with MSVC and traditional make
2020-04-14 16:57:04 -04:00
dcbf9f7d17
cmake: improve exported target
2020-04-14 12:16:28 -06:00
7d71d5bfb3
Merge pull request #1981 from akohlmey/simplify_build_choices
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Simplify choices for building LAMMPS and add some howtos for CMake and getting stack traces
2020-04-14 10:57:54 -04:00
8a0ed69e5b
Merge pull request #1995 from akohlmey/cmake-build-docs
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Update CMake scripts to build the HTML docs correctly
2020-04-14 10:22:30 -04:00
da36b252cc
remove even more trailing whitespace
2020-04-14 06:08:10 -04:00
dc7853956a
remove trailing whitespace
2020-04-14 06:01:07 -04:00
41cfb3ae80
Merge branch 'master' into neel-rework
2020-04-14 05:57:08 -04:00
b8b1e60b37
describe various abstract build targets for CMake
2020-04-14 01:13:46 -04:00
3c2b23e821
small tweaks and grammar corrections
2020-04-14 01:13:22 -04:00
4ded155cf2
simplify directory creation and copying of static content
2020-04-14 00:31:45 -04:00
872f15f2be
remove no longer needed include
2020-04-14 00:30:53 -04:00
4f8d4a10d9
small tweaks and grammar/style improvements
2020-04-14 00:00:21 -04:00
a3c5751faf
BUILD_LIB variable has been removed from CMake
2020-04-13 23:40:36 -04:00
34689fed5e
make clean-all should also remove Manual.pdf and Developer.pdf
2020-04-13 23:34:29 -04:00
1688160669
don't need to force version 2.4.4 of sphinx anymore
2020-04-13 22:55:20 -04:00
