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13640 Commits

Author SHA1 Message Date
Ulf R. Pedersen 245bf74552 Rename setup.lmp to in.setup 2017-10-03 11:16:54 +02:00
Ulf R. Pedersen 7e8bbe8481 Rename pinning.lmp to in.pinning 2017-10-03 11:16:29 +02:00
Ulf R. Pedersen e6d687faac Rename crystal.lmp to in.crystal 2017-10-03 11:15:49 +02:00
Ulf R. Pedersen 8a2cf5ce8e reformatting and use citeme class 2017-10-03 11:13:10 +02:00
Ulf R. Pedersen 8f79f5ddb9 add the LAMMPS copyright 2017-10-03 10:59:46 +02:00
Ulf R. Pedersen 40ae6f215b add the usual LAMMPS copyright 2017-10-03 10:58:21 +02:00
Ulf R. Pedersen 4dcc49ebe2 Delete fix_rhok.cpp 2017-10-03 10:56:07 +02:00
Ulf R. Pedersen fe14eeccac Delete fix_rhok.h 2017-10-03 10:54:22 +02:00
Ulf R. Pedersen c66ddf9ac0 Update fix_rhok.txt 2017-09-29 08:03:02 +02:00
Ulf R. Pedersen 285a123c90 Update fix_rhok.cpp 2017-09-28 18:42:15 +02:00
Ulf R. Pedersen 0f52dd7c5f Update fix_rhok.h 2017-09-28 18:41:06 +02:00
Ulf R. Pedersen 10d1741e7f Update fix_rhok.txt 2017-09-28 18:38:25 +02:00
Ulf R. Pedersen d11733d3a0 typo in equation 2017-09-28 18:28:46 +02:00
Ulf R. Pedersen 348c4eb7f3 add .cpp and .h to root src 2017-09-28 18:18:28 +02:00
Ulf R. Pedersen 75b3f34a58 Update documentation 2017-09-28 18:16:06 +02:00
Ulf R. Pedersen fe80c57bde more documentation 2017-09-28 17:01:12 +02:00
Ulf R. Pedersen e49f0e396b Create fix_rhok.txt 2017-09-28 16:24:26 +02:00
Ulf R. Pedersen 37e55a825b Create fix_rhok.txt 2017-09-28 16:20:03 +02:00
Ulf R. Pedersen 67e48264d9 Update fix_rhok.cpp 2017-09-28 16:02:20 +02:00
Ulf R. Pedersen 4e1eeca869 Update fix_rhok.cpp 2017-09-28 16:02:00 +02:00
Ulf R. Pedersen 2fda041972 Update fix_rhok.cpp 2017-09-28 16:00:16 +02:00
Ulf R. Pedersen 34c1adb4dd Merge https://github.com/lammps/lammps 2017-09-28 12:28:58 +02:00
Ulf R. Pedersen 88a882b457 Added reference to fix rhok implimentation 2017-09-25 18:59:23 +02:00
Ulf R. Pedersen f1aea57e30 Update readme.md 2017-09-25 18:48:21 +02:00
Ulf R. Pedersen b35f2ff8b4 Example of Interface Pinning Computation 2017-09-25 18:44:24 +02:00
Ulf R. Pedersen 4beccf508f Move fix to USER-MISH 2017-09-25 18:35:53 +02:00
Steve Plimpton f2c1172741 patch 22Sep17 2017-09-22 15:46:34 -06:00
Steve Plimpton bcde318ccb Merge pull request #659 from stanmoore1/kk_border_comm 
Enhance Kokkos communication logic
 2017-09-22 13:47:44 -06:00
Stan Moore 3ed39ca844 Make Kokkos comm give warning and switch to classic comm instead of erroring out 2017-09-22 13:03:24 -06:00
Steve Plimpton ee487ef4aa Merge pull request #652 from junghans/latte 
Add LATTE fix
 2017-09-22 10:32:19 -06:00
Steve Plimpton a8ae886667 update fix latte examples and virial 2017-09-21 10:40:54 -06:00
Ulf R. Pedersen fe8244c1c2 Rename fix 2017-09-21 16:49:46 +02:00
Ulf R. Pedersen 3381a43378 Added readme.m 2017-09-21 16:20:06 +02:00
Ulf R. Pedersen 73708b091c Added readme file, and removed old files 2017-09-21 16:17:26 +02:00
Ulf R. Pedersen 9a9af2ca5e Delete README 2017-09-21 13:58:51 +02:00
Ulf R. Pedersen 491d5f3410 Added USER-PINNING package 2017-09-21 11:38:59 +02:00
Christian Negre 5e35ab251b fixed sucrose 2017-09-20 17:11:49 -06:00
Christoph Junghans d708e34ba6 cmake: download/build latte if not found 2017-09-20 12:01:26 -06:00
Steve Plimpton 638b91bf74 Merge pull request #657 from lammps/snap-potentials 
new SNAP potentials and examples
 2017-09-20 09:34:51 -06:00
Axel Kohlmeyer ad25a95297 whitespace cleanup 2017-09-20 11:13:13 -04:00
Axel Kohlmeyer e7d042ba1a convert DOS/Windows CR-LF line endings to native format 2017-09-20 11:12:58 -04:00
Steve Plimpton dd49d54889 new SNAP potentials and examples 2017-09-20 08:54:30 -06:00
Steve Plimpton fbaa7ab8fa Merge pull request #655 from akohlmey/fixes-for-patch 
collected small bugfixes for the next patch release
 2017-09-20 08:51:47 -06:00
Steve Plimpton 2e9803efb3 Merge pull request #645 from akohlmey/kokkos-makefile-updates 
Some small kokkos makefile updates
 2017-09-20 08:40:20 -06:00
Axel Kohlmeyer 59d2e13d48 add .gitignore and add Makefile.lammps.* symlinks to stay consistent with other libraries 2017-09-19 19:06:02 -04:00
Steve Plimpton 76d93f21dd add fix latte command to doc pages 2017-09-19 16:55:08 -06:00
Steve Plimpton ac897ea645 LATTE package doc update and some small code changes 2017-09-19 16:27:25 -06:00
Axel Kohlmeyer 19f1f3a3e0 correct USER-INTEL installer script for verlet_lrt_intel files 2017-09-19 11:48:27 -04:00
Axel Kohlmeyer be96486d66 compile all objects in the GPU library with -fPIC for building shared object 2017-09-19 11:24:48 -04:00
Axel Kohlmeyer 48dd824b26 ignore generated header files with OpenCL kernels 2017-09-19 11:24:38 -04:00