e2c39a1acd
rename page for fix reax/c/bonds
2018-12-10 14:38:58 -05:00
e86b933862
remove meam and reax from documentation
2018-12-10 14:38:25 -05:00
52a1f257c5
fix typo
2018-12-10 14:19:03 -05:00
dedc6cf20c
remove obsolete reax tools and rename pair_meam.txt to pair_meamc.txt
2018-12-10 14:16:08 -05:00
93efe3e40e
update docs for meam and meam/c pair style
2018-12-10 12:21:15 -05:00
3f49eb8515
remove meam and reax from build system
2018-12-10 12:14:03 -05:00
1de2f5fc01
make pair style meam an alias of meam/c
2018-12-10 12:12:29 -05:00
a9c3b8aca0
add reax to DEPRECATED pair style and state when it was removed from LAMMPS
2018-12-10 12:11:56 -05:00
054c525842
remove REAX and MEAM from src folder
2018-12-10 12:07:51 -05:00
8b5887bfb1
remove MEAM and REAX from lib folder
2018-12-10 12:05:29 -05:00
fb08d3ea46
ignore MSCG build folder more generally
2018-12-10 11:25:24 -05:00
7d3caaa1a4
step version date for stable release on wednesday
2018-12-10 11:24:35 -05:00
b6b813459b
update example logfiles for USER-DRUDE package
2018-12-10 11:04:52 -05:00
8f95cdcb27
small update to the fix rigid/meso command docs
2018-12-09 16:24:06 -05:00
802bf4bc1f
update .gitignore for recently added files
2018-12-08 15:00:33 -05:00
4078c7897e
fix permissions
2018-12-08 15:00:14 -05:00
7c3d6dc051
propagate rendezvous changes to fix rigid/small
2018-12-07 16:43:01 -07:00
ece1aff7e9
less comm version of special bonds rendezvous
2018-12-07 15:46:27 -07:00
e6321e1020
Merge pull request #1246 from akohlmey/next-patch-release
...
Patch release 7 December 2018
2018-12-07 14:15:12 -05:00
0165f18d59
Merge pull request #1241 from akohlmey/collected-small-fixes
...
Collected small changes and updates for stable release
2018-12-07 11:28:26 -05:00
c36f8390d2
Merge pull request #1240 from akohlmey/fix-tune-kspace-limits
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Detect fix tune/kspace incompatible configurations
2018-12-07 11:28:02 -05:00
57204a0f66
reformat recently changed paragraphs in the manual
2018-12-07 10:38:01 -05:00
4f00984bbc
Merge branch 'master' into collected-small-fixes
2018-12-07 10:32:33 -05:00
f02eab3990
Merge pull request #1248 from junghans/cmake-plumed
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cmake: USER-PLUMED does not depend on LAPACK anymore
2018-12-07 10:31:18 -05:00
4792ff1dc2
Merge pull request #1247 from gtribello/master
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Changes to manual related to the USER-PLUMED package
2018-12-07 10:30:35 -05:00
998a512143
update log files for USER-UEF
2018-12-07 10:19:34 -05:00
29dcf8348b
No longer require LAPACK and BLAS to compile PLUMED+LAMMPS so removed this statement from docs
2018-12-07 15:16:40 +00:00
1bd81db9b3
Fixed spelling mistakes
2018-12-07 15:15:35 +00:00
a30e1b2670
cmake: USER-PLUMED does not LAPACK anymore
2018-12-07 06:10:29 -07:00
4a4dbc7da5
Added further instructions on building of PLUMED+LAMMPS
2018-12-07 12:49:00 +00:00
0244841b27
auto-request a review from @sjplimp when the LAMMPS version is updated
2018-12-07 06:15:03 -05:00
ee98dc0b96
step version number to 7 December 2018
2018-12-07 06:11:30 -05:00
e61b553bb3
update USER-MOFF log files
2018-12-07 05:54:02 -05:00
f8da830c07
fix new[]/delete mismatches and a memory leak in USER-DIFFRACTION package
2018-12-07 05:51:02 -05:00
20eca799b1
update log files for USER-DIFFRACTION package
2018-12-07 05:50:39 -05:00
d802817cca
Small changes to the documentation for building and using PLUMED
2018-12-07 10:39:10 +00:00
8ce60d8761
update USER-CGSDK and USER-COLVARS log files
2018-12-07 05:03:26 -05:00
c44620f00e
make sure all class pointers in the LAMMPS class are initialized to NULL
...
some early use of the LAMMPS class may produce segmentation faults,
if member classes are not yet initialized and their pointers are
pointing to random locations. For NULL we can easily test.
2018-12-07 04:34:00 -05:00
a5f75bbabd
plug memory leaks in USER-CGDNA package pair styles
2018-12-07 04:33:33 -05:00
685a8bfc62
update or add logs for USER-AWPMD, USER-BOCS, and USER-CGDNA
2018-12-07 04:32:46 -05:00
cd0924ca4c
add log files for USER-AWPMD examples
2018-12-07 03:49:46 -05:00
afaaf442d3
bond/react doc tweaks 2
2018-12-06 21:32:10 -07:00
18f7e96e8a
update log files for USER-PLUMED examples
2018-12-06 19:07:36 -05:00
984f415196
fix memory leak in fix plumed
2018-12-06 19:05:39 -05:00
e01ba84fd2
update log files for USER-SCAFACOS
2018-12-06 19:01:20 -05:00
e37436d646
plug memory leak and avoid accessing uninitialized memory in virial computation and properly handle PPPM/Ewald cases that don't compute a virial
2018-12-06 18:54:25 -05:00
3021189cc9
Merge branch 'master' of github.com:lammps/lammps into gran_mods
2018-12-05 13:52:52 -07:00
00d719459f
Fixed one error
2018-12-04 17:46:31 -07:00
9ee076e4c7
correct formatting of preformatted text
2018-12-04 10:40:31 -05:00
fa7e02ea71
Removed redundant element list from pair_coeff snap syntax
2018-12-03 20:28:01 -07:00
