|
|
798fcacd77
|
update example for API change in Fix::copy_arrays()
|
2018-04-13 11:37:51 -04:00 |
|
|
|
bc0fd5496a
|
add info to compute heat/flux doc page
|
2018-04-13 08:57:24 -06:00 |
|
|
|
430027465f
|
Merge pull request #868 from junghans/latte
cmake: update latte to v1.1.1
|
2018-04-13 08:44:59 -06:00 |
|
|
|
7f9400eadc
|
Merge pull request #865 from athomps/fix_gcmc_temperature
Made ndof dynamic for temperature fixes and computes
|
2018-04-13 08:44:41 -06:00 |
|
|
|
1b965d4d3a
|
Merge pull request #863 from ellio167/kim-update
KIM API interface update
|
2018-04-13 08:43:56 -06:00 |
|
|
|
6e31b7da63
|
doc typos
|
2018-04-11 22:06:22 -06:00 |
|
|
|
8f1487fbc6
|
update lib/latte/Install.py to be consistent with CMake config
|
2018-04-11 11:20:39 -04:00 |
|
|
|
e2bc4d461e
|
cmake: update latte to v1.1.1
|
2018-04-10 17:26:16 -06:00 |
|
|
|
dee945c01d
|
cmake: bump openkim to v1.9.4
|
2018-04-10 15:44:13 -06:00 |
|
|
|
bc49ce611a
|
restore python3 compatibility
|
2018-04-09 23:08:49 -04:00 |
|
|
|
72cd13aac7
|
cmake: add openkim build as external project
|
2018-04-06 17:22:54 -06:00 |
|
|
|
49d524e442
|
Remove unused variables in pair_reaxc_kokkos
|
2018-04-05 11:58:47 -06:00 |
|
|
|
3c6102a0c3
|
Tweak whitespace in Makefile.kokkos_cuda_mpi
|
2018-04-05 11:49:57 -06:00 |
|
|
|
4517c85c77
|
Use reference to improve performance in pair_reaxc_kokkos
|
2018-04-05 11:47:22 -06:00 |
|
|
|
aa4f044709
|
Deallocate views of views in serial to prevent race condition in Kokkos profiling tools
|
2018-04-05 11:44:19 -06:00 |
|
|
|
2d4e0fcfd3
|
purge deleted file in KIM package
|
2018-04-04 13:24:05 -04:00 |
|
|
|
4fa95de91c
|
update logfiles for gcmc example inputs
|
2018-04-04 12:33:48 -04:00 |
|
|
|
24e0ca5377
|
avoid warning about group all
|
2018-04-04 12:28:20 -04:00 |
|
|
|
e1a17d428f
|
print the warning about using group all with fix gcmc only from MPI rank 0
|
2018-04-04 12:26:43 -04:00 |
|
|
|
8e3ba36a4f
|
Merge pull request #866 from lammps/header-error-messages
add placeholders to include files for error messges
|
2018-04-04 09:45:07 -06:00 |
|
|
|
12bc84163d
|
remove or reformulate references to USER-CUDA package, which no longer exists
|
2018-04-04 11:06:20 -04:00 |
|
|
|
5221ac2d55
|
add placeholders to include files for error messges
|
2018-04-03 17:48:31 -06:00 |
|
|
|
af8e258ebb
|
Revert to previous code without plug-in interface
|
2018-04-03 17:17:23 -05:00 |
|
|
|
d1356c1d76
|
Made ndof dynamic for temperature fixes and computes
|
2018-04-03 15:07:04 -06:00 |
|
|
|
3f3bab4e71
|
Create KIM_LAMMPS_PlugIn.h & related changes
|
2018-04-02 11:45:35 -05:00 |
|
|
|
f089d8d247
|
use correct installed kim lib when adding new models
|
2018-04-02 09:39:44 -05:00 |
|
|
|
25d2f4b1f6
|
Update pair_kim for v1.9.4 and versatile linking
Use dlopen instead of directly linking to kim-api
library. This will allow for easier distribution
of LAMMPS with support for KIM Models.
|
2018-04-02 09:39:44 -05:00 |
|
|
|
020fc66ad9
|
Merge pull request #8 from lammps/master
rebase
|
2018-04-01 12:55:58 -06:00 |
|
|
|
0bfb6f0c2a
|
Merge branch 'master' of github.com:lammps/lammps
patch_30Mar2018
|
2018-03-30 15:22:15 -06:00 |
|
|
|
7786cb5a4b
|
patch 30Mar18
|
2018-03-30 15:21:55 -06:00 |
|
|
|
e476f89b47
|
Merge pull request #860 from lammps/doctweak
alphabetize correction in docs
|
2018-03-30 10:10:34 -06:00 |
|
|
|
bfc07712cf
|
alphabetize correction in docs
|
2018-03-30 09:48:15 -06:00 |
|
|
|
ee5ad9cbb3
|
Merge pull request #857 from lammps/resetids
new reset_ids command and dump_modify delay option
|
2018-03-30 09:45:02 -06:00 |
|
|
|
a19e8fb269
|
Merge branch 'master' into resetids
|
2018-03-30 09:15:24 -06:00 |
|
|
|
81caeffb38
|
Merge pull request #855 from lammps/dumpinc
new dump_modify refresh and compute displace/atom refresh commands fo…
|
2018-03-30 09:07:19 -06:00 |
|
|
|
a4795df5f9
|
complete integration of reset_ids into the documentation build system
|
2018-03-30 10:49:38 -04:00 |
|
|
|
ef8423918a
|
fix typo
|
2018-03-29 17:04:53 -04:00 |
|
|
|
0984e94c04
|
Merge pull request #858 from junghans/fix_return
MathSpecial::fm_exp: fix return value on ppc64
|
2018-03-29 08:11:33 -06:00 |
|
|
|
2a930dac42
|
Merge pull request #856 from akohlmey/fix_srp_bugfix
Bugfix for SRP with triclinic cells
|
2018-03-29 08:10:55 -06:00 |
|
|
|
09313cf3b5
|
shift files into doc/src
|
2018-03-28 13:35:13 -06:00 |
|
|
|
6dff29bb9c
|
remove files that were added in error last summer by a pull request
|
2018-03-28 13:52:07 -04:00 |
|
|
|
c664f46b31
|
MathSpecial::fm_exp: fix return value on ppc64
|
2018-03-28 11:51:04 -06:00 |
|
|
|
5fd17670b1
|
new reset_ids command and dump_modify delay option
|
2018-03-28 11:31:35 -06:00 |
|
|
|
b37664b44e
|
squash bug in fix srp that was incorrectly comparing cutoffs for triclinic cells
|
2018-03-28 10:57:13 -04:00 |
|
|
|
b5b0f67bcd
|
Merge pull request #852 from akohlmey/collected-small-bugfixes-and-updates
Collected small bugfixes and cleanups
|
2018-03-27 15:43:57 -06:00 |
|
|
|
a524d8c193
|
Merge pull request #854 from lammps/readdump
new option *add keep* added to read_dump
|
2018-03-27 14:39:35 -06:00 |
|
|
|
b571f5423a
|
Merge pull request #850 from lammps/addlib
a few new lib interface methods
|
2018-03-27 14:39:16 -06:00 |
|
|
|
2aef3a0e96
|
new dump_modify refresh and compute displace/atom refresh commands for incremental dump files
|
2018-03-27 14:37:04 -06:00 |
|
|
|
da9f63210e
|
rephrase error message, remove trailing whitespace
|
2018-03-27 13:59:21 -04:00 |
|
|
|
e8b8428f6b
|
new option *add keep* added to read_dump
|
2018-03-27 10:08:58 -06:00 |
|
