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20273 Commits

Author SHA1 Message Date
Evangelos Voyiatzis ef112be870
Update bond_nonlinear.cpp 2020-04-01 14:54:17 +02:00
Evangelos Voyiatzis d0c1b7ea08
Update bond_nonlinear.h 2020-04-01 14:52:41 +02:00
Evangelos Voyiatzis 9446f8f780
Update bond_fene.cpp 2020-04-01 14:51:23 +02:00
Evangelos Voyiatzis bd7deebca2
Update bond_fene.h 2020-04-01 14:50:32 +02:00
Evangelos Voyiatzis 5bc7a24479
Update bond_class2.cpp 2020-04-01 14:49:04 +02:00
Evangelos Voyiatzis 566e110e42
Update bond_class2.h 2020-04-01 14:48:13 +02:00
Evangelos Voyiatzis 494750b426
Update bond_morse.cpp 2020-04-01 14:46:52 +02:00
Evangelos Voyiatzis c472f38f5f
Update bond_morse.h 2020-04-01 14:44:54 +02:00
Axel Kohlmeyer fbac800b75
Merge pull request #1968 from junghans/cmake_kokkos_3 
cmake: fix up kokkos-3.0 update
 2020-03-31 16:29:44 -04:00
Christoph Junghans cfd8ea1e36
KOKKOS.cmake: added missing default. 2020-03-30 13:53:26 -06:00
Christoph Junghans 1ceb335059
KOKKOS.cmake: make doc more clear 2020-03-30 12:29:19 -06:00
Christoph Junghans 802909386b
KOKKOS.cmake: fix a typo 2020-03-30 12:28:24 -06:00
Christoph Junghans dd7cb2b770 cmake: fix up kokkos-3.0 update 2020-03-30 11:51:30 -06:00
Axel Kohlmeyer 1316e93eb2
Merge pull request #1870 from stanmoore1/kk_2.99 
Update Kokkos library to v3.0
 2020-03-30 13:35:48 -04:00
Axel Kohlmeyer 5a88db838d
Merge pull request #1946 from yafshar/kim-property 
Add new kim_property command
 2020-03-27 20:58:52 -04:00
Axel Kohlmeyer 6de66b1140
fix whitespace issues 2020-03-27 19:12:10 -04:00
Axel Kohlmeyer afc17b1d53
use american english spelling 2020-03-27 19:05:52 -04:00
Axel Kohlmeyer ad029f567f
Merge pull request #1965 from martok/meamc-docs 
MEAM/C: Improve documentation, error messages
 2020-03-27 18:54:07 -04:00
Sebastian Hütter 2d15071c9f Update Errors_messages.rst 2020-03-27 23:22:17 +01:00
Yaser Afshar 24ed8749d2 a kim-property command example 2020-03-27 17:17:04 -05:00
Axel Kohlmeyer 06a9fda7a4
Merge pull request #1966 from rbberger/library-interface-update 
Allow query of available styles from lib interface
 2020-03-27 17:54:46 -04:00
Richard Berger c49310721c Hide secret styles 2020-03-27 17:23:09 -04:00
Stan Moore 686a2c7a43 Support host execution 2020-03-27 15:19:40 -06:00
Richard Berger 3b1244831e Add Python::has_minimum_version 2020-03-27 16:28:43 -04:00
Stan Moore 1861c0f8ec Fix deprecated Kokkos code issue 2020-03-27 12:20:13 -06:00
Stan Moore e809bf6566 Fix merge issue 2020-03-27 11:08:20 -06:00
Stan Moore f7cfaec57d Fix team_size issue in comm_kokkos 2020-03-27 10:18:33 -06:00
Richard Berger 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
Stan Moore 6b6dd07414 Fix runtime issues with pair_exp6_rx_kokkos 2020-03-26 17:12:08 -06:00
Stan Moore 7a5f73137a Fix runtime issues with Kokkos vatom 2020-03-26 16:21:06 -06:00
Stan Moore b54697efb8 Fix runtime issue in atom_vec_sphere_kokko 2020-03-26 15:56:58 -06:00
Stan Moore 5c0f027464 Fix team_size issue in comm_kokkos 2020-03-26 15:32:45 -06:00
Stan Moore f6a107c448 Fix team_size issues in pair_snap_kokkos 2020-03-26 15:29:01 -06:00
Sebastian Hütter 8456f3f2ec MEAM/C: refactor file reading with MPI, scope locals accordingly 2020-03-26 17:20:23 +01:00
Sebastian Hütter 9e0e046eb2 MEAM/C: improve error messages and documentation 2020-03-26 17:20:23 +01:00
Christoph Junghans 01a51d655c cmake: move kokkos to external project (part I) 2020-03-25 19:11:49 -06:00
Stan Moore 36b826348b Fix compile issues with Kokkos 2020-03-25 16:12:37 -06:00
Stan Moore 50935b5cbc Fix typos 2020-03-25 14:23:45 -06:00
Stan Moore 60864e38d1 Update Kokkos library in LAMMPS to v3.0 2020-03-25 14:08:39 -06:00
Stan Moore 0252d8c210 Fix compile for UVM 2020-03-25 13:58:20 -06:00
Stan Moore e298978da0 Change Kokkos::Impl to std namespace 2020-03-25 13:58:12 -06:00
Stan Moore 0025dfe1e3 Update Kokkos CUDA minimum verison 2020-03-25 13:56:18 -06:00
Stan Moore 1e7e9369da Fix runtime error in Kokkos package 2020-03-25 13:56:07 -06:00
Stan Moore 4eebcdfc0d Fix runtime issue in Kokkos 2020-03-25 13:55:51 -06:00
Stan Moore 7a09636f9a Fix compile issue in pair_kokkos.h 2020-03-25 13:55:40 -06:00
Stan Moore 299f79c919 Remove deprecated Kokkos code 2020-03-25 13:55:31 -06:00
Axel Kohlmeyer 2ac79d4483
Merge pull request #1963 from akohlmey/collected-small-fixes 
Collected small changes for the next patch
 2020-03-25 10:41:11 -04:00
Axel Kohlmeyer 1192845ad5
avoid segmentation faults in universe/uloop variable increment 2020-03-25 08:19:24 -04:00
Axel Kohlmeyer 398c030925
whitespace cleanup 2020-03-25 06:52:37 -04:00
Axel Kohlmeyer 3704d90efb
Merge branch 'master' into collected-small-fixes 2020-03-25 06:50:11 -04:00