lammps:036647c10257a635991cdf3ecb00eafce04c663b commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/036647c10257a635991cdf3ecb00eafce04c663b 2018-06-19T16:19:37-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/036647c10257a635991cdf3ecb00eafce04c663b correct sign of virial tally in fix smd. issue reported by Dinesh SD on lammp... 2018-06-19T16:19:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/03a7d1cd5df653704541bdbaf8aac6a984011b99 Merge pull request #933 from rtoijala/fix_dt_reset_energy 2018-06-18T13:43:03-06:00 Steve Plimpton sjplimp@sandia.gov Limit atom energy change in fix dt/reset https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/08331da93dc44e96de97f1863541beaf05cd76e8 Merge pull request #950 from martok/subst-equal-fmt 2018-06-18T13:42:24-06:00 Steve Plimpton sjplimp@sandia.gov Add support for inline format strings to immediate variable substitution https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ab0f3debeb4a22273b3305ed96a1b7441f58e5ae Merge pull request #948 from martok/variable-string 2018-06-18T10:50:36-06:00 Steve Plimpton sjplimp@sandia.gov Variable style 'string' substitutes variables in definition https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fe14bfd1d20c36b515013740d9956d7f507a3d70 Merge pull request #951 from martok/meam-diaref-fix 2018-06-18T10:29:57-06:00 Steve Plimpton sjplimp@sandia.gov Apply modifications to MEAM & MEAM/C as found by Kyung-Han Kang https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d55c7039ee60057b86590232b545733c49f2e062 Merge pull request #943 from Pakketeretet2/improve-manifoldforce-warning 2018-06-18T10:09:18-06:00 Steve Plimpton sjplimp@sandia.gov Improve fix manifoldforce warning https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/87dcef71158fe6b75b84566f17162ce02ab445ac Merge pull request #952 from rbberger/coverage 2018-06-18T10:08:31-06:00 Steve Plimpton sjplimp@sandia.gov Add code coverage target to CMake https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7e234497ff7a43fbe3136bf0fe5aa352e22fae2f Merge pull request #953 from jrgissing/bond/react-update 2018-06-18T10:08:06-06:00 Steve Plimpton sjplimp@sandia.gov Bond/react update https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/277b43b2fda301f41f44eb6b648a81f33780f32f Merge pull request #949 from jdevemy/master 2018-06-18T10:07:26-06:00 Steve Plimpton sjplimp@sandia.gov Fix the tail correction with pair_nm https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6f61ed2af5d3b03368e7ecd5cff2b6a7f5263f98 Merge pull request #938 from akohlmey/collected-bugfixes 2018-06-18T10:06:55-06:00 Steve Plimpton sjplimp@sandia.gov Collected bugfixes and updates https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/16cc613993df7ecd39513b05a3ba5957b38f8173 Merge pull request #920 from junghans/mscg 2018-06-18T10:06:16-06:00 Steve Plimpton sjplimp@sandia.gov cmake: add DOWNLOAD_MSCG option https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3750e0a42775e490936dc04651d455b0cf635940 resolve newton setting and parallel disparities, improve syntax error catching 2018-06-16T11:13:52-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/40c4461a7806821efac26d24da43161b497ca026 Merge pull request #17 from lammps/master 2018-06-15T23:26:01-06:00 Jacob Gissinger jrgiss05@gmail.com rebase https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d830fc2301c52e617e0c5ad1e5a8b7ec2f8b7de1 Inline find_program() for gcovr 2018-06-16T00:40:10-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3411b0e576b974115e8af778ded73ea8f472a94c add more code owners 2018-06-15T18:03:15-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/47458f1ca027df59196bfae396be3e87e54d481a Add code coverage target to CMake 2018-06-15T17:57:33-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c4bcb7e73dc742887e2395b64d3e923220688725 mention requirement to come after the box creation in Restrictions section 2018-06-15T17:52:54-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/18b543179c5135d274255b5c0af4170f9884331d fix typo 2018-06-15T17:47:23-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/14c4438a72064457c8bd5326990e5e328f8f3154 update docs to reflect the state of reserving space for topology info with mo... 2018-06-15T17:46:09-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/acd20512f0ddcb079c3526615e29146275c9ed31 require that box is defined before molecule command is issued 2018-06-15T17:40:14-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5fcdfe6dcbe6b94a40192830345ff52ff5fdd6a0 describe the use of wildcards for adapting ranges of bond types 2018-06-15T17:35:43-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7c9afc1be2f05b9396a73a84bdfeb5da6016ec34 change warning and move it do init() as discussed in PR #943 2018-06-15T17:27:23-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fe483a769f53d260caf1364277b4bc63287badee update makefiles in lib/linalg to support .F files in addition to .f files 2018-06-15T15:35:34-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f312fbfe32e581ca842d55b82cab8ec12a7fa6d7 update Install.py to use a specific numbered release version instead of master 2018-06-15T15:16:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f68c6dddb8655c63434d3acae6d1e6cef85cbfb0 Apply modifications to MEAM & MEAM/C as found by Kyung-Han Kang 2018-06-15T12:33:38+02:00 Sebastian Hütter sebastian.huetter@ovgu.de https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c5b51df06e11a9dd1ec22b18debc3bbefa19b60e Add support for inline format strings to immediate variable substitution 2018-06-14T14:17:37+02:00 Sebastian Hütter sebastian.huetter@ovgu.de https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/479cc9424d9858f18c18a4ab56813fb627af3a14 C include 2018-06-14T13:57:10+02:00 Julien Devemy julien.devemy@uca.fr https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/673202d05f2b0732d2c1be216956a9afa7d11a2f Bugfix for pair_nm and tail correction 2018-06-14T13:44:55+02:00 Julien Devemy julien.devemy@uca.fr https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3e79296dcfa6b2c0407ba7baf5d592cb986fc57b Variable style 'string' substitutes variables in definition 2018-06-14T13:10:08+02:00 Sebastian Hütter sebastian.huetter@ovgu.de https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fcf9ed0fc2f50c2d8a47b5eee64f4cc295e96656 Merge pull request #946 from b-v/patch-1 2018-06-13T13:01:15-06:00 Steve Plimpton sjplimp@sandia.gov Update README.md https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/661848139c5051869f5fe1385f12024cc9c85f9a Merge pull request #926 from ndtrung81/gpu-updates 2018-06-13T12:57:01-06:00 Steve Plimpton sjplimp@sandia.gov some updates to the GPU package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/12d8370ec570011dacbf540460c806d0618ad061 Update README.md 2018-06-12T23:03:33+01:00 b-v b-v@users.noreply.github.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3c781afa6c142c3a7ed0a992a8c041c2c39cc88d Switched to standard C++ header files for pair lj/expand/coul/long in USER-MISC 2018-06-09T09:41:03-05:00 Trung Nguyen ndactrung@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/37268e435b3e9c21652c161485fa0e6095e9c49d Merge remote-tracking branch 'origin/master' into mscg 2018-06-08T18:06:06-06:00 Christoph Junghans junghans@votca.org https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/29e555213c5df6532731ba18d72f3a3944169cb7 Merge pull request #924 from junghans/cmake_misc 2018-06-08T17:34:58-06:00 Steve Plimpton sjplimp@sandia.gov miscellaneous CMake Fixes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/965ac3cedd30a3b4c9c824661fa649b9f86dde11 cmake: lower cmake requirement to 2.8.12 2018-06-08T16:18:02-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/30e3e9ab8845c897144506bb4ed8b6d81446c4e0 cmake: simplify Fortran linkage 2018-06-08T16:14:28-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6cb0c2e9c5d41a2f3dd5bbae8ed35ae5a46de9c3 Merge pull request #937 from stanmoore1/kk_bonds 2018-06-08T15:42:40-06:00 Steve Plimpton sjplimp@sandia.gov Fix issues in Kokkos topology files https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ebd93cac699052792f6f9f5c97aed72badca7e18 Merge pull request #930 from stanmoore1/kk_update 2018-06-08T15:42:05-06:00 Steve Plimpton sjplimp@sandia.gov Update Kokkos library to v2.7.00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a2dd21dca59b91ce88f57781c84f30b544936bcd Made statement in if have equal whitespace on either side. 2018-06-08T15:15:37-04:00 Stefan Paquay stefanpaquay@gmail.com