lammps:35f5a685f67a583daeb970d6a41e3ff3b3f29b75 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/35f5a685f67a583daeb970d6a41e3ff3b3f29b75 2018-06-22T08:19:49-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/35f5a685f67a583daeb970d6a41e3ff3b3f29b75 small change to preempt a possible merge conflict 2018-06-22T08:19:49-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/92f0f19df640277b4b8c6654a331b9f68bc046b1 make info config output of compile time defines consistent with lmp_<machine> -h 2018-06-22T07:26:33-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dcdc7877a41ca9107be980cc21effc7c2f9bd862 make compile time output more consistent and complete 2018-06-22T07:05:09-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2f11f2d7b253ba6fac3dc530073be019f95d0a38 query compile time settings in Info class 2018-06-22T06:59:09-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e25b6c81ee622df48a4ad564898c9e8f66dc14be use a more conventional way to generate and include the lmpinstalledpkgs.h file 2018-06-22T06:58:31-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/80cca7c4c186e34febf833d107a951fc90b93be2 make has_XXX_support functions static, so they can be called without having t... 2018-06-22T06:57:05-04:00 Axel Kohlmeyer akohlmey@gmail.com make has_XXX_support functions static, so they can be called without having to create an instance of Info, which requires a fully instantiation of the LAMMPS and Pointers classes https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7da8e69b459d0a0feb9960cf6ffc06e715891bcd add code to create lmpinstalledpkgs.h file with cmake 2018-06-21T19:08:09-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e8e1349da4d6c083a056d3a16dd480e193593085 make the list of installed packages a static const class member of the LAMMPS... 2018-06-21T19:07:16-04:00 Axel Kohlmeyer akohlmey@gmail.com through this change, the list of packages becomes accessible for the library interface and the python wrapper, e.g. to check whether a prerequisite packages is installed (simpler/faster for quick highlevel check than having to try instantiating a specific style). https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9f3cb83fb3349a87209e501b71eb931ea65bf7bc use a list instead of a string to store the names of installed packages 2018-06-20T17:57:17-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9f3fae1c47797b039ae64d915fd8a9eac7d6ca50 record 3d-FFT array packaging algorithm 2018-06-20T17:23:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/0e603493af19ff36282faca12af09d59080a1031 fix bug that made compilation fail with no packages installed 2018-06-20T17:23:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7f0c88c74bd43ea062cf83d7587f8cf9a2300ae0 refactor the gathering of compile time settings after discussion with @sjplimp 2018-06-20T17:23:37-04:00 Axel Kohlmeyer akohlmey@gmail.com - remove feature to record the compilation time and date - remove 'echo -n' based "progress bar" - update output format for "lmp_machine -h" to be consistent with help output - move generation of lmpinstalledpkgs.h to be a separate target depending on all sources and headers in src folder. this way it is only regenerated when files are modified or packages installed https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1f770a6a8feb55fbf8b134ba27761ec511dc9496 print information about serial/parallel and MPI version for known libraries 2018-06-20T17:23:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/596acaf4d2fc86e682b1dafe0be5c741989d15a3 give visual feedback on when the compile starts since gathering the package... 2018-06-20T17:23:37-04:00 Axel Kohlmeyer akohlmey@gmail.com give visual feedback on when the compile starts since gathering the package information can take time https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/472a1a501daa55f3b053207a81dffe38619864c5 add lmpinstalledpks.h to the list of purgable files 2018-06-20T17:23:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/eb485afc454fbb987f2953a43705ae439cf441f5 fix logic bug that would not create lmpinstalledpkgs.h when there was none 2018-06-20T17:23:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4265e68ff89659ae969aefdb67abdf5d3b694582 record installed packages 2018-06-20T17:23:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/90f0586c9e98f5ad45d7e63d547d10e131b29115 include compilation date as an example for embedding info, that is not a define 2018-06-20T17:23:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c371ce1005291ebe85ec498e5d1f0acc7c217f28 include date when LAMMPS was compiled 2018-06-20T17:23:37-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e3a528a49353541ca6e6b281d78353c6e16e52a9 report compile time options (-DLAMMPS_XXX) in help output and info config 2018-06-20T17:23:37-04:00 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 &amp; 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