https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/62984c1de0f2cfe7dfdb027d16194b07d3e4f387 2018-06-22T08:02:17-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/62984c1de0f2cfe7dfdb027d16194b07d3e4f387 small tweaks: improve messages and comments 2018-06-22T08:02:17-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/04d040b863d457bf9ac9e592cb7fee1e8d770f45 update make purge list and fix checking for styles and installed package file... 2018-06-22T07:57:03-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f0a2c57401e86da355d7f34ab8baf4fc5884b7d3 Merge pull request #959 from rbberger/cmake_documentation 2018-06-21T13:57:48-06:00 Steve Plimpton sjplimp@sandia.gov Expand cmake documentation https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4ca3d30db70c6e45960475b5abb942f90f153f78 Add BUILD_MPI and BUILD_OMP in cmake docs 2018-06-21T14:45:00-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/65c895721fba8b69ab98a6b81803b91881f4e157 Update README.md to reflect change ENABLE_* to PKG_* 2018-06-21T12:32:46-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bfacfc46be6d3dcd2120bfb55bea3aa5c620feb3 Add TOC to README.md 2018-06-21T12:32:46-04:00 Richard Berger themechatronic@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/919d95d37501be38afd206e7b1879bb58efa6736 Fill in package descriptions 2018-06-21T12:32:46-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/258185690d58bcef6f514eefa282da154ffc6381 Fixup GitHub markup version 2018-06-21T12:32:46-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cea0227f147801e546249e0620e57f26b61bd3b5 Expand CMake build documentation 2018-06-21T12:32:32-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3e58ebea4f9e86da3b06fe68c78ac99f213522e3 Merge pull request #957 from akohlmey/collected_small_fixes 2018-06-21T08:49:18-06:00 Steve Plimpton sjplimp@sandia.gov Collected small changes and bugfixes for next patch release https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7a22612bea56bb12c29d331125d7e0fdc3024dd3 Merge pull request #956 from cnegre/latte_examples 2018-06-21T08:48:56-06:00 Steve Plimpton sjplimp@sandia.gov Added boxrel example and simplified latte.in https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9805b5d34ab70dbff3e2023e142606a0dbff3b87 Merge pull request #955 from junghans/fortran_linking 2018-06-21T08:48:26-06:00 Steve Plimpton sjplimp@sandia.gov cmake: implicit fortran libs need to linked last https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/47482afbc1a6fa36108d145c7571c2389baff86d add more thorough checks on parsing reaxff force field and signal when the... 2018-06-20T15:47:32-04:00 Axel Kohlmeyer akohlmey@gmail.com add more thorough checks on parsing reaxff force field and signal when the lgvdw setting is correct. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7d3a549de9fe48cd2ed33b71dd30e087c991d1c8 remove entries that are not compatible with lgvdw yes and not included in the... 2018-06-20T14:16:34-04:00 Axel Kohlmeyer akohlmey@gmail.com closes #876 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/37b901eadbdf7acaf19634cfc1de7e8691b05c72 Added boxrel example and simplified latte.in 2018-06-19T11:12:28-06:00 Christian F. A. Negre christianfannegre@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5a3ef992729ce1fe514416433916461f7a00b6c2 cmake: implicit fortran libs need to linked last 2018-06-18T16:11:31-06:00 Christoph Junghans junghans@lanl.gov 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