Commit Graph

11335 Commits

Author SHA1 Message Date
61147d75b5 change build settings to have only mode=static and mode=shared and always build library and executable 2020-04-08 18:38:18 -04:00
686aba9fd8 include options to link to the LAMMPS library in mode=print output 2020-04-08 18:36:30 -04:00
3f630f799e fix up non-ascii characters so doc tools can work with LC_ALL=C 2020-04-02 17:29:42 -04:00
96202ccf56 remove trailing whitespace 2020-04-01 20:27:43 -04:00
eb955b44f8 Merge branch 'master' into collected-small-changes 2020-04-01 20:26:02 -04:00
e1924c6064 Merge pull request #1969 from stanmoore1/team_size
Work around team_size issue in npair_kokkos
2020-04-01 14:03:32 -04:00
08e81d6a36 Update bond_fene.cpp 2020-04-01 15:15:52 +02:00
e93920bb5d Update bond_nonlinear.cpp 2020-04-01 15:15:25 +02:00
ba81e6a955 Update bond_morse.cpp 2020-04-01 15:15:00 +02:00
1157a2a4c2 Update bond_class2.cpp 2020-04-01 15:14:21 +02:00
ef112be870 Update bond_nonlinear.cpp 2020-04-01 14:54:17 +02:00
d0c1b7ea08 Update bond_nonlinear.h 2020-04-01 14:52:41 +02:00
9446f8f780 Update bond_fene.cpp 2020-04-01 14:51:23 +02:00
bd7deebca2 Update bond_fene.h 2020-04-01 14:50:32 +02:00
5bc7a24479 Update bond_class2.cpp 2020-04-01 14:49:04 +02:00
566e110e42 Update bond_class2.h 2020-04-01 14:48:13 +02:00
494750b426 Update bond_morse.cpp 2020-04-01 14:46:52 +02:00
c472f38f5f Update bond_morse.h 2020-04-01 14:44:54 +02:00
3ba83de700 Work around team_size issue in npair_kokkos 2020-03-30 16:26:46 -06:00
1316e93eb2 Merge pull request #1870 from stanmoore1/kk_2.99
Update Kokkos library to v3.0
2020-03-30 13:35:48 -04:00
aa76ed0b0e remove tab and trailing whitespace 2020-03-27 22:25:27 -04:00
2a7f690bf2 refactor error code handler to avoid possible string overflows and handle out of range argument 2020-03-27 21:09:20 -04:00
d37e7a5025 fix whitespace issues 2020-03-27 21:08:43 -04:00
5a88db838d Merge pull request #1946 from yafshar/kim-property
Add new kim_property command
2020-03-27 20:58:52 -04:00
6de66b1140 fix whitespace issues 2020-03-27 19:12:10 -04:00
ad029f567f Merge pull request #1965 from martok/meamc-docs
MEAM/C: Improve documentation, error messages
2020-03-27 18:54:07 -04:00
c49310721c Hide secret styles 2020-03-27 17:23:09 -04:00
686a2c7a43 Support host execution 2020-03-27 15:19:40 -06:00
3b1244831e Add Python::has_minimum_version 2020-03-27 16:28:43 -04:00
1861c0f8ec Fix deprecated Kokkos code issue 2020-03-27 12:20:13 -06:00
e809bf6566 Fix merge issue 2020-03-27 11:08:20 -06:00
f7cfaec57d Fix team_size issue in comm_kokkos 2020-03-27 10:18:33 -06:00
758c812306 Allow query of available styles from lib interface
Adds the following new library functions:
- lammps_has_style()
- lammps_style_count()
- lammps_stlye_name()

The Info class now also has the following member functions:

- Info::has_style()
- Info::get_available_styles()
2020-03-26 22:45:18 -04:00
6b6dd07414 Fix runtime issues with pair_exp6_rx_kokkos 2020-03-26 17:12:08 -06:00
7a5f73137a Fix runtime issues with Kokkos vatom 2020-03-26 16:21:06 -06:00
b54697efb8 Fix runtime issue in atom_vec_sphere_kokko 2020-03-26 15:56:58 -06:00
5c0f027464 Fix team_size issue in comm_kokkos 2020-03-26 15:32:45 -06:00
f6a107c448 Fix team_size issues in pair_snap_kokkos 2020-03-26 15:29:01 -06:00
8456f3f2ec MEAM/C: refactor file reading with MPI, scope locals accordingly 2020-03-26 17:20:23 +01:00
9e0e046eb2 MEAM/C: improve error messages and documentation 2020-03-26 17:20:23 +01:00
36b826348b Fix compile issues with Kokkos 2020-03-25 16:12:37 -06:00
0252d8c210 Fix compile for UVM 2020-03-25 13:58:20 -06:00
e298978da0 Change Kokkos::Impl to std namespace 2020-03-25 13:58:12 -06:00
1e7e9369da Fix runtime error in Kokkos package 2020-03-25 13:56:07 -06:00
4eebcdfc0d Fix runtime issue in Kokkos 2020-03-25 13:55:51 -06:00
7a09636f9a Fix compile issue in pair_kokkos.h 2020-03-25 13:55:40 -06:00
299f79c919 Remove deprecated Kokkos code 2020-03-25 13:55:31 -06:00
1192845ad5 avoid segmentation faults in universe/uloop variable increment 2020-03-25 08:19:24 -04:00
398c030925 whitespace cleanup 2020-03-25 06:52:37 -04:00
3704d90efb Merge branch 'master' into collected-small-fixes 2020-03-25 06:50:11 -04:00