lijiext
/
lammps
mirror of https://github.com/lammps/lammps.git
1
0
Fork 1
Code Issues Packages Projects Releases Wiki Activity
16,323 Commits 9 Branches 202 Tags 1.2 GiB
Commit Graph

16323 Commits

Author SHA1 Message Date
Axel Kohlmeyer 054c525842 remove REAX and MEAM from src folder 2018-12-10 12:07:51 -05:00
Axel Kohlmeyer 8b5887bfb1 remove MEAM and REAX from lib folder 2018-12-10 12:05:29 -05:00
Axel Kohlmeyer fb08d3ea46 ignore MSCG build folder more generally 2018-12-10 11:25:24 -05:00
Axel Kohlmeyer 7d3caaa1a4 step version date for stable release on wednesday 2018-12-10 11:24:35 -05:00
Axel Kohlmeyer b6b813459b update example logfiles for USER-DRUDE package 2018-12-10 11:04:52 -05:00
Axel Kohlmeyer 8f95cdcb27 small update to the fix rigid/meso command docs 2018-12-09 16:24:06 -05:00
Axel Kohlmeyer 802bf4bc1f update .gitignore for recently added files 2018-12-08 15:00:33 -05:00
Axel Kohlmeyer 4078c7897e fix permissions 2018-12-08 15:00:14 -05:00
Axel Kohlmeyer e6321e1020
Merge pull request #1246 from akohlmey/next-patch-release 
Patch release 7 December 2018
 2018-12-07 14:15:12 -05:00
Axel Kohlmeyer 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
Axel Kohlmeyer c36f8390d2
Merge pull request #1240 from akohlmey/fix-tune-kspace-limits 
Detect fix tune/kspace incompatible configurations
 2018-12-07 11:28:02 -05:00
Axel Kohlmeyer 57204a0f66 reformat recently changed paragraphs in the manual 2018-12-07 10:38:01 -05:00
Axel Kohlmeyer 4f00984bbc Merge branch 'master' into collected-small-fixes 2018-12-07 10:32:33 -05:00
Axel Kohlmeyer f02eab3990
Merge pull request #1248 from junghans/cmake-plumed 
cmake: USER-PLUMED does not depend on LAPACK anymore
 2018-12-07 10:31:18 -05:00
Axel Kohlmeyer 4792ff1dc2
Merge pull request #1247 from gtribello/master 
Changes to manual related to the USER-PLUMED package
 2018-12-07 10:30:35 -05:00
Axel Kohlmeyer 998a512143 update log files for USER-UEF 2018-12-07 10:19:34 -05:00
Gareth Tribello 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
Gareth Tribello 1bd81db9b3 Fixed spelling mistakes 2018-12-07 15:15:35 +00:00
Christoph Junghans a30e1b2670 cmake: USER-PLUMED does not LAPACK anymore 2018-12-07 06:10:29 -07:00
Gareth Tribello 4a4dbc7da5 Added further instructions on building of PLUMED+LAMMPS 2018-12-07 12:49:00 +00:00
Axel Kohlmeyer 0244841b27 auto-request a review from @sjplimp when the LAMMPS version is updated 2018-12-07 06:15:03 -05:00
Axel Kohlmeyer ee98dc0b96 step version number to 7 December 2018 2018-12-07 06:11:30 -05:00
Axel Kohlmeyer e61b553bb3 update USER-MOFF log files 2018-12-07 05:54:02 -05:00
Axel Kohlmeyer f8da830c07 fix new[]/delete mismatches and a memory leak in USER-DIFFRACTION package 2018-12-07 05:51:02 -05:00
Axel Kohlmeyer 20eca799b1 update log files for USER-DIFFRACTION package 2018-12-07 05:50:39 -05:00
Gareth Tribello d802817cca Small changes to the documentation for building and using PLUMED 2018-12-07 10:39:10 +00:00
Axel Kohlmeyer 8ce60d8761 update USER-CGSDK and USER-COLVARS log files 2018-12-07 05:03:26 -05:00
Axel Kohlmeyer 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
Axel Kohlmeyer a5f75bbabd plug memory leaks in USER-CGDNA package pair styles 2018-12-07 04:33:33 -05:00
Axel Kohlmeyer 685a8bfc62 update or add logs for USER-AWPMD, USER-BOCS, and USER-CGDNA 2018-12-07 04:32:46 -05:00
Axel Kohlmeyer cd0924ca4c add log files for USER-AWPMD examples 2018-12-07 03:49:46 -05:00
jrgissing afaaf442d3 bond/react doc tweaks 2 2018-12-06 21:32:10 -07:00
Axel Kohlmeyer 18f7e96e8a update log files for USER-PLUMED examples 2018-12-06 19:07:36 -05:00
Axel Kohlmeyer 984f415196 fix memory leak in fix plumed 2018-12-06 19:05:39 -05:00
Axel Kohlmeyer e01ba84fd2 update log files for USER-SCAFACOS 2018-12-06 19:01:20 -05:00
Axel Kohlmeyer 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
Aidan Thompson 00d719459f Fixed one error 2018-12-04 17:46:31 -07:00
Axel Kohlmeyer 9ee076e4c7 correct formatting of preformatted text 2018-12-04 10:40:31 -05:00
Aidan Thompson fa7e02ea71 Removed redundant element list from pair_coeff snap syntax 2018-12-03 20:28:01 -07:00
jrgissing cf3aee9083 bond/react doc tweaks 2018-12-03 20:12:38 -07:00
Axel Kohlmeyer 45b6b4bf52 Merge branch 'python-script-portability' into collected-post-stable-patches 2018-12-03 19:47:37 -05:00
Axel Kohlmeyer be721fe75a more Install.py refactoring 2018-12-03 19:47:10 -05:00
Axel Kohlmeyer 4168855ba3 reduce distracting nvcc (or rather ptxas) verbosity 2018-12-03 19:27:03 -05:00
Axel Kohlmeyer 4adbacf8e5 Merge branch 'python-script-portability' into collected-post-stable-patches 2018-12-03 19:14:47 -05:00
Giacomo Fiorin d603d084c4 Fix typo, whitespace cleanup 2018-12-03 18:12:10 -05:00
Giacomo Fiorin 46c0be57de Restore deleted deps file (if deletion is intentional, please delete again) 2018-12-03 18:08:27 -05:00
Axel Kohlmeyer db2c8887cf Merge branch 'python-script-portability' into collected-post-stable-patches 2018-12-03 17:50:47 -05:00
Axel Kohlmeyer e5c555fa7d consolidate shared code from various Install.py files into install_helpers.py 2018-12-03 17:50:20 -05:00
Axel Kohlmeyer ee82143a29 more false positives to handle 2018-12-03 16:21:18 -05:00
Axel Kohlmeyer a0bd1bd755 fix typo 2018-12-03 16:12:32 -05:00