lammps:ac897ea6457cf101a9e6ef24d90a842f1e93ddd1 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/ac897ea6457cf101a9e6ef24d90a842f1e93ddd1 2017-09-19T16:27:25-06:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ac897ea6457cf101a9e6ef24d90a842f1e93ddd1 LATTE package doc update and some small code changes 2017-09-19T16:27:25-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/02665e45a4005a7a4846ad3dfc2cd77532d13f44 fix doc in lib/latte/Makefile.lammps.* 2017-09-15T17:52:14-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cc2a53a8daef07850d0a2b15674509aede996bb9 Merge branch 'exaalt' of gitlab.com:exaalt/lammps into latte 2017-09-15T17:43:48-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d614d56c34c4bf80e210b29e0162f34f0e678ee4 Merge branch 'exaalt' of gitlab.com:exaalt/lammps into exaalt 2017-09-15T17:41:02-06:00 Christian Negre cnegre@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/39daf3c6f68f8b7055dce3608a77a1623ea60b06 added fix_latte.txt 2017-09-15T17:40:34-06:00 Christian Negre cnegre@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/17aeccf19f3fa5c68e8421362ca90aabc501efdc Merge remote-tracking branch 'origin/master' into latte 2017-09-15T16:18:13-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d101fe3e79fd7457c7b140208505ff496652acb3 Merge pull request #649 from akohlmey/fix-virial-aidan 2017-09-15T15:25:09-06:00 Steve Plimpton sjplimp@sandia.gov Add support for selected fixes to optionally contribute to the virial https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/27f99534ecc4126a7a61159abf72afcb9f0935b1 Merge pull request #654 from giacomofiorin/colvars-small-fix 2017-09-15T15:22:09-06:00 Steve Plimpton sjplimp@sandia.gov Fix small typo to calculation of accumulated work in Colvars https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5f6937daddcb9ede78ee75cfed751ad98172e2f5 Merge pull request #653 from jdevemy/master 2017-09-15T15:21:53-06:00 Steve Plimpton sjplimp@sandia.gov Bugfix for the limit keyword https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3b39694f2386da112b16cae4dc03d48a160f0fd1 Merge pull request #628 from lammps/cmake_improvements 2017-09-15T15:19:46-06:00 Steve Plimpton sjplimp@sandia.gov CMake improvements https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/99e5dc7104610d1f4d6c072d6df87b97c9646c17 add support for fix_modify virial yes to fix smd 2017-09-15T01:21:16-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ccb67d8dc51150155551ccc6254122283552c68d correct cut-n-paste errors in the documentation of fix_modify virial 2017-09-15T01:20:56-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2cd7cbd964152d0afcdd18a1d898ca0a6633886f correct cut-n-paste error, add docs 2017-09-15T00:54:19-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8776b8103337cb30f5e7e509697fe85fb7077a69 add virial support to fix addforce 2017-09-15T00:46:18-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f1fce64ff9df81c91d4db98d94d75904b04a0908 Fix small typo to calculation of accumulated work in Colvars 2017-09-14T12:58:00-04:00 Giacomo Fiorin giacomo.fiorin@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/da7776f818b85073b9fd8214882e687b263519f8 Bugfix for the limit keyword 2017-09-14T11:00:55+02:00 Julien Devemy julien.devemy@uca.fr https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/66f59f9ec0b7472f9a32a93b47b2e293880d94b2 FindLATTE.cmake: fixed a typo 2017-09-13T15:51:03-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d84825fd7ff42409064344ae767cc9f6928e2f41 remove useless files 2017-09-13T14:37:24-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f971cd6e4510e5bdc6b5a67ed65914df7895be06 Merge pull request #647 from rbberger/gpu_opencl_2 2017-09-12T10:56:13-06:00 Steve Plimpton sjplimp@sandia.gov Use OpenCL 2.x API in GPU package when supported https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0cb3a3821ffb76bee8528c211db9060d65bbec6e Merge pull request #644 from akohlmey/collected-small-fixes 2017-09-12T10:31:51-06:00 Steve Plimpton sjplimp@sandia.gov Collected small fixes for next patch https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e927794696f85b7d9b8bfd9b73c0b07bc632260a Merge pull request #643 from andeplane/gpu_opencl_compile_fix 2017-09-12T10:31:22-06:00 Steve Plimpton sjplimp@sandia.gov Fixed OpenCL compilation issues with __global keywords https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e196a2b9e54ad207a72b15e501e6fa1f9b4893f1 import changes to various fixes by aidan to include virial contributions 2017-09-11T22:24:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cb19ef547e0d0cb2e62cfe439fb14c92f87a4d4c update src/.gitignore 2017-09-11T22:00:58-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/95d849285345b82342499f38260da1f338e377f4 the original fix qeq went away over 7 years ago, we don't need to purge it 2017-09-11T21:59:22-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b3547a9eca79b73c352bf3f7a8a3838908f87535 add infrastructure for enabling fixes to contribute to the virial by aidan 2017-09-11T11:09:59-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/84b84c10db1b69ac28dad41f2cee0848b7abb2fb Use OpenCL 2.x API in GPU package when supported 2017-09-09T19:53:56-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0be7f4675083ef9e00970f850d26c5c097c89e2c cmake: added USER-MESO 2017-09-09T08:25:57-06:00 Christoph Junghans junghans@votca.org https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4738fedca32fd3e853cf82388cfb926b1643a76b Merge remote-tracking branch 'origin/master' into cmake_improvements 2017-09-09T08:22:30-06:00 Christoph Junghans junghans@votca.org https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1601433ca1e5256bc793312a88fe4ef2e7971649 cmake: fix lib suffix 2017-09-09T07:05:51-06:00 Christoph Junghans junghans@votca.org https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3fdb6f10fac8cae64be7febfa22ae41a001ac2b0 cmake: OpenCL is always found if required 2017-09-09T06:51:24-06:00 Christoph Junghans junghans@votca.org https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ff18cff46bfe53daf7f8e8353301ac50b9f2c77f Merge branch 'cmake_pkg_libs' into cmake_improvements 2017-09-08T23:34:59-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8a06a7bc6bfec056477653d9e5dc2c09668e0512 Add OpenCL support to CMake build 2017-09-08T22:20:47-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b861ea342e46374999de5695bd93f465dfd16f1a cmake: fix LATTE linkage 2017-09-08T11:54:32-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fce633aa5f4de7b55801a55578c907579d254bca cmake: tweaks for EXAALT superbuild, add latte_fix 2017-09-08T11:33:49-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2f6be88c4a4bd8471af5862ad64282668222e3cf Merge remote-tracking branch 'origin/master' into exaalt 2017-09-08T07:04:12-06:00 Christoph Junghans junghans@votca.org https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7b1542a0ba2bc66cb9d186a61581d0e9848dd5e2 merging stable and exaalt branches into exaaltstable 2017-09-07T16:31:50-06:00 Richard Zamora rzamora@pn1714452.lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/de8297ea194b877a97e1c6d104c13f0a7372e676 recover ability to compile USER-INTEL without OpenMP enabled 2017-09-06T12:02:14-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fe557cb882e2b00a50a94c0c89b2554b1fe43e30 fix typo in commands table 2017-09-06T11:35:52-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c80203cb011542359190b13f069ed88574373e11 Merge pull request #641 from lammps/doc-tweak 2017-09-06T08:52:51-06:00 Steve Plimpton sjplimp@sandia.gov small update to docs for new commands https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4161868bcf69d3ab367cc137eaf1cae4913a5287 Merge pull request #640 from ohenrich/user-cgdna 2017-09-06T08:52:05-06:00 Steve Plimpton sjplimp@sandia.gov USER-CGDNA - sequence-dependent stacking and h-bonding strength