jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
14,589 Commits 9 Branches 198 Tags 1.1 GiB
Commit Graph

14589 Commits

Author SHA1 Message Date
Christoph Junghans 858c211fdc linalg: add functions needed for MSCG 2018-05-18 15:08:08 -06:00
Christoph Junghans 6997aedf30 cmake: avoid warning of missing include dir 2018-05-18 15:06:54 -06:00
Christoph Junghans 6944973484 cmake: don't build Eigen3 for USER-SMD 2018-05-17 20:07:43 -06:00
Christoph Junghans 9e82c86fbd cmake: minor improvement for MSCG 2018-05-17 20:01:33 -06:00
Christoph Junghans 68dd7d4f2b cmake: fix 2 typos in MSCG build 2018-05-17 17:43:16 -06:00
Christoph Junghans b2da3ca3e9 cmake: add DOWNLOAD_MSCG option 2018-05-17 17:23:54 -06:00
Steve Plimpton 94c6d2d546
Merge pull request #918 from stanmoore1/kk_atomics 
Fix performance regression in KOKKOS package
 2018-05-16 16:46:02 -06:00
Steve Plimpton 585a164e78
Merge pull request #901 from timattox/bugfix_atom_vec_dpd 
USER-DPD: bugfix for AtomVecDPD::unpack_restart() and the Kokkos version
 2018-05-16 16:45:35 -06:00
Stan Moore 5a4a7cebc1 Fix performance regression in KOKKOS package 2018-05-16 16:12:05 -06:00
Steve Plimpton 307e471456
Merge pull request #914 from jrgissing/bond-react-restart 
smooth restarts with bond/react
 2018-05-14 16:16:58 -06:00
Steve Plimpton f5d66e74c5
Merge pull request #913 from jrgissing/bond/react-doc-reformat 
Bond/react doc reformat
 2018-05-14 16:16:46 -06:00
Steve Plimpton bebf25dcb3
Merge pull request #912 from ellio167/kim-update 
Update to kim-api-v1.9.5
 2018-05-14 16:16:18 -06:00
Steve Plimpton 3f316f71ef
Merge pull request #910 from junghans/cmake_intel 
USER-INTEL: enforce icc and add icc flags
 2018-05-14 16:15:50 -06:00
jrgissing 8303d1a375 allow smooth restarts 2018-05-13 22:49:54 -06:00
jrgissing 363d8ef775 tweaks1 2018-05-13 15:45:43 -06:00
jrgissing a449488b1d simplify 2018-05-13 12:14:15 -06:00
jrgissing e076d08ee9 correctly render doc page 2018-05-12 14:17:29 -06:00
Jacob Gissinger 1a5144bf37
Merge pull request #13 from lammps/master 
rebase
 2018-05-12 12:59:57 -06:00
Steve Plimpton ca6920be72
Merge pull request #907 from akohlmey/dump_maxfile 
Implement 'dump_modify maxfiles' feature
 2018-05-12 12:59:33 -06:00
Christoph Junghans 55d8cc0341 cmake: add DOWNLOAD_KIM option 2018-05-12 09:48:15 -06:00
Christoph Junghans 6b73e29f64 cmake: update kim to v1.9.5 2018-05-12 09:43:13 -06:00
Ryan S. Elliott 09046ad3f7 Update to kim-api-v1.9.5 
Fixes the 'everything' option
 2018-05-12 10:08:09 -05:00
Christoph Junghans 06c18dd36c cmake: make CMAKE_VERBOSE_MAKEFILE option visible 2018-05-11 17:50:50 -06:00
Christoph Junghans 55bd823339 cmake: fix icc versioning 2018-05-11 17:48:31 -06:00
Axel Kohlmeyer 77e04a9213 Merge branch 'dump_maxfile' of github.com:akohlmey/lammps into dump_maxfile 2018-05-11 18:04:06 -04:00
Axel Kohlmeyer 233f03ea8e windows portability bugfix 2018-05-11 18:03:49 -04:00
Steven J. Plimpton f65b06de0e dump_modify maxfiles tweak 2018-05-11 15:54:16 -06:00
Steven J. Plimpton 0f32d603b5 tweaks to dump_modify maxfiles doc page 2018-05-11 15:52:18 -06:00
Steve Plimpton 3440b1a2a7
Merge pull request #909 from lammps/tablecut 
new dihedral table/cut command
 2018-05-11 15:41:52 -06:00
Christoph Junghans 8952b1107c cmake: add user overwrite for USER-INTEL 2018-05-11 15:33:18 -06:00
Christoph Junghans b3b3c225e8 cmake: check that USER-INTEL flags actually work 2018-05-11 15:32:32 -06:00
Axel Kohlmeyer 4d34e55072 rename jpeg file, recreate tex file and fix typo in docs for dihedral style table/cut 2018-05-11 17:31:14 -04:00
Christoph Junghans 4820cef5d4 cmake: USER-INTEL fix flags 2018-05-11 15:19:29 -06:00
Axel Kohlmeyer e7598eeec0 ignore new style sources in USER-MSIC 2018-05-11 16:17:00 -04:00
Christoph Junghans a5d29fa52e Merge remote-tracking branch 'origin/master' into cmake_intel 2018-05-11 14:13:30 -06:00
Axel Kohlmeyer 821ef0cf77 update documentation for dihedral style table/cut 2018-05-11 16:08:23 -04:00
Steve Plimpton 42f22a9723
Merge pull request #908 from akohlmey/coverity-scan-fixes 
Correct small bugs found by static code analysis
 2018-05-11 14:06:18 -06:00
Steve Plimpton 0d8110bc19
Merge pull request #903 from akohlmey/move-enums-to-headers 
Move enums that have to be consistent across files into a class
 2018-05-11 14:05:58 -06:00
Steve Plimpton 44c5e88e24
Merge pull request #902 from junghans/cmake 
CMake improvements
 2018-05-11 14:05:26 -06:00
Steven J. Plimpton 8d24101df4 patch 11May18 2018-05-11 14:04:49 -06:00
Axel Kohlmeyer 308dac6821 fix force->bounds() bug and remove dead code 2018-05-11 15:54:51 -04:00
Christoph Junghans 944dab1351 USER-INTEL: enforce icc and add icc flags 2018-05-11 11:53:34 -06:00
Axel Kohlmeyer c3cc07bd3d truncate filename path to a segment starting with 'src/' 
this will trim warnings and error messages when compiling using the CMake
build system, which uses full paths. as a bonus,one can now see, if a
source is taken from a package or not.
 2018-05-11 13:52:34 -04:00
Christoph Junghans c50258e89c cmake: ENABLE -> PKG for packages 2018-05-11 07:51:59 -06:00
Steven J. Plimpton 9674512997 new dihedral table/cut command 2018-05-11 07:36:40 -06:00
Axel Kohlmeyer f864584bce correct small bugs found by coverity scan static code analysis 
- in fix rigid, rigid/small, and poems, a string argument was
  incorrectly assigned to a %d format
- plug two small memory leaks in fix bond/react
 2018-05-11 00:43:09 -04:00
Axel Kohlmeyer 075598b405 port dump_modify maxfiles option to COMPRESS and MPIIO package 2018-05-10 23:44:27 -04:00
Axel Kohlmeyer 7780d92823 implement 'dump_modify maxfiles' feature as discussed 2018-05-10 23:25:26 -04:00
Christoph Junghans 66caf1c1a3 cmake: rename PNG,JPEG options to WITH_* 2018-05-10 20:33:18 -06:00
Axel Kohlmeyer 95eb86d6c7 Need to use MPI_CXX_INCLUDE_PATH instead of MPI_C_INCLUDE_PATH on Fedora 28 with cmake 3.11 2018-05-10 21:20:06 -04:00