Commit Graph

14596 Commits

Author SHA1 Message Date
1fbd4fffd4 Updated rounded/polygon example 2018-05-29 23:50:43 -05:00
d4cca615fb Refactored pair body rounded/polyhedron so that kernel_force() can be derived for other styles 2018-05-29 23:42:03 -05:00
7aab932731 Fixed typos in pair body rounded/polygon header file 2018-05-29 15:49:15 -05:00
f2c302c2c4 Added fix wall/body/polygon and related doc pages 2018-05-26 14:59:40 -05:00
6438cffa57 Added examples for body rounded/polygon 2018-05-26 13:39:43 -05:00
6b9637eaa3 Added doc page for pair body rounded/polyhedron and updated related pages 2018-05-26 12:34:07 -05:00
4ca870b2a9 Updated doc page for pair body rounded/polygon 2018-05-26 11:41:15 -05:00
179dcd6895 Updated pair body rounded/polygon and rounded/polyhedron 2018-05-26 10:02:53 -05:00
5a23342934 Refactored pair body rounded/polyhedron so that other kernel force models can be implemented in the future 2018-05-26 00:39:55 -05:00
dd3278ea07 Added examples for body rounded/polygon and rounded/polyhedron 2018-05-24 23:54:50 -05:00
4bd4b2a1c7 Updated pair body rounded/polygon and rounded/polyhedron 2018-05-24 23:35:49 -05:00
4308f005ab Updated pair body rounded/polygon 2018-05-24 23:12:01 -05:00
41687a84a4 Added body and pair styles for rounded/polygon and rounded polyhedra, wall fixesthat are compatible with these body styles 2018-05-24 22:55:49 -05:00
94c6d2d546 Merge pull request #918 from stanmoore1/kk_atomics
Fix performance regression in KOKKOS package
2018-05-16 16:46:02 -06:00
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
5a4a7cebc1 Fix performance regression in KOKKOS package 2018-05-16 16:12:05 -06:00
307e471456 Merge pull request #914 from jrgissing/bond-react-restart
smooth restarts with bond/react
2018-05-14 16:16:58 -06:00
f5d66e74c5 Merge pull request #913 from jrgissing/bond/react-doc-reformat
Bond/react doc reformat
2018-05-14 16:16:46 -06:00
bebf25dcb3 Merge pull request #912 from ellio167/kim-update
Update to kim-api-v1.9.5
2018-05-14 16:16:18 -06:00
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
8303d1a375 allow smooth restarts 2018-05-13 22:49:54 -06:00
363d8ef775 tweaks1 2018-05-13 15:45:43 -06:00
a449488b1d simplify 2018-05-13 12:14:15 -06:00
e076d08ee9 correctly render doc page 2018-05-12 14:17:29 -06:00
1a5144bf37 Merge pull request #13 from lammps/master
rebase
2018-05-12 12:59:57 -06:00
ca6920be72 Merge pull request #907 from akohlmey/dump_maxfile
Implement 'dump_modify maxfiles' feature
2018-05-12 12:59:33 -06:00
55d8cc0341 cmake: add DOWNLOAD_KIM option 2018-05-12 09:48:15 -06:00
6b73e29f64 cmake: update kim to v1.9.5 2018-05-12 09:43:13 -06:00
09046ad3f7 Update to kim-api-v1.9.5
Fixes the 'everything' option
2018-05-12 10:08:09 -05:00
06c18dd36c cmake: make CMAKE_VERBOSE_MAKEFILE option visible 2018-05-11 17:50:50 -06:00
55bd823339 cmake: fix icc versioning 2018-05-11 17:48:31 -06:00
77e04a9213 Merge branch 'dump_maxfile' of github.com:akohlmey/lammps into dump_maxfile 2018-05-11 18:04:06 -04:00
233f03ea8e windows portability bugfix 2018-05-11 18:03:49 -04:00
f65b06de0e dump_modify maxfiles tweak 2018-05-11 15:54:16 -06:00
0f32d603b5 tweaks to dump_modify maxfiles doc page 2018-05-11 15:52:18 -06:00
3440b1a2a7 Merge pull request #909 from lammps/tablecut
new dihedral table/cut command
2018-05-11 15:41:52 -06:00
8952b1107c cmake: add user overwrite for USER-INTEL 2018-05-11 15:33:18 -06:00
b3b3c225e8 cmake: check that USER-INTEL flags actually work 2018-05-11 15:32:32 -06:00
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
4820cef5d4 cmake: USER-INTEL fix flags 2018-05-11 15:19:29 -06:00
e7598eeec0 ignore new style sources in USER-MSIC 2018-05-11 16:17:00 -04:00
a5d29fa52e Merge remote-tracking branch 'origin/master' into cmake_intel 2018-05-11 14:13:30 -06:00
821ef0cf77 update documentation for dihedral style table/cut 2018-05-11 16:08:23 -04:00
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
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
44c5e88e24 Merge pull request #902 from junghans/cmake
CMake improvements
2018-05-11 14:05:26 -06:00
8d24101df4 patch 11May18 patch_11May2018 2018-05-11 14:04:49 -06:00
308dac6821 fix force->bounds() bug and remove dead code 2018-05-11 15:54:51 -04:00
944dab1351 USER-INTEL: enforce icc and add icc flags 2018-05-11 11:53:34 -06:00
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