lammps:27f99534ecc4126a7a61159abf72afcb9f0935b1 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/27f99534ecc4126a7a61159abf72afcb9f0935b1 2017-09-15T15:22:09-06:00 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/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/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/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/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/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 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9ca39c89a6a3eefbeb1b56f50be5e2c28b67c3f8 Merge pull request #639 from rbberger/python_interface_improvements 2017-09-06T08:51:27-06:00 Steve Plimpton sjplimp@sandia.gov Python interface improvements https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/99791ce01c09e0bf0cac7bfd35fb82b3204989f4 Merge pull request #632 from timattox/USER-DPD_kokkos_merge 2017-09-06T08:50:43-06:00 Steve Plimpton sjplimp@sandia.gov Add Kokkos version of the USER-DPD package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0248a7b98e9eac8ef560b70141da7a50cf5f779a remove duplicate listing of deleted USER-DPD files from Purge.list 2017-09-06T09:24:05-05:00 Tim Mattox timothy.mattox@engilitycorp.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dbc60d949f566fe9828989d981e43a7b23f88ee7 Fixed OpenCL compilation issues with __global keywords 2017-09-06T15:08:02+02:00 Anders Hafreager andershaf@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d886cc91f3b39bb9d4db41535e398a9e357b43dc fix syntax error in fix saed/vtk docs example 2017-09-05T17:45:56-04:00 Axel Kohlmeyer akohlmey@gmail.com This addresses the issue reported on github by @subhammridha closes thus clodes #642 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4c5d901e2b0489ae8cb23a5d320ead5803c120ba fix stupid typo (too much compiling of fortran codes...) 2017-09-05T16:45:03-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c8f92c1a617a16dafb010458bcb8d7711a1d7b73 add a couple deleted files from USER-DPD to Purge.list 2017-09-05T16:42:58-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dec1d7b2dc48783de0222e30fe76b7ccc884e820 re-indent so that gcc no longer complains about inconsistent indentation 2017-09-05T16:41:19-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/45602e58f99a3438d0361bbf3006460a6f8848d2 fix another couple of typos 2017-09-05T12:48:28-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cd72532fb9347de4e6485a3115e9d8a661d8097d fix typo 2017-09-05T12:47:34-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b1706060529b82476cab62786e2ccadd342dc437 Merge pull request #620 from amilumas/master 2017-09-05T10:08:55-06:00 Steve Plimpton sjplimp@sandia.gov Temper_NPT https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/65b295e826aa952d88eac7bc24398eec40e8edc4 Merge pull request #638 from jdevemy/master 2017-09-05T10:05:49-06:00 Steve Plimpton sjplimp@sandia.gov Mods for extra/special/per/atom and add toluene https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/89a0bc947f01a1abe9d0a4931c19e34a4200b546 small update to docs for new commands 2017-09-05T10:04:20-06:00 Steve Plimpton sjplimp@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c8967a335f26257a48241a6463ecb422965d6a65 Included hyperlink to package 2017-09-05T11:45:32+01:00 Oliver Henrich ohenrich@users.norepy.github.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2105145f55e6fee2011444c1e4024c1e0efc6992 More minor changes 2017-09-05T11:40:36+01:00 Oliver Henrich ohenrich@users.norepy.github.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f7715ab6ce3c2e943f9f4220bf68516eb524e88f Added comment about optimised damping coefficient for BD 2017-09-05T11:35:26+01:00 Oliver Henrich ohenrich@users.norepy.github.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/12fe614ddf5854f1b18109a0d77fbca9cb8cc7bc Added sequence-dependent stacking and base-pairing strength 2017-09-05T10:48:38+01:00 Oliver Henrich ohenrich@users.norepy.github.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0b5a2e199ddb32a71577a9b3938d7df0e25f30eb Add way of getting correct ctypes integer type for bigint, tagint, and imageint 2017-09-04T20:01:31-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/09bb687918e6be4e224745e380fa9ff221ecfd50 Correct indentation 2017-09-04T20:01:04-04:00 Richard Berger richard.berger@temple.edu