lammps:724ade0af3a8cacf1373b4b88fc721cb3a76b83a commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/724ade0af3a8cacf1373b4b88fc721cb3a76b83a 2018-05-10T18:48:47-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/724ade0af3a8cacf1373b4b88fc721cb3a76b83a silence compiler warnings about bool vs int in AtC lib 2018-05-10T18:48:47-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/40a8b1af79cf7984615224fcedc6d176674718d9 fix stupid bug in AtC when using alloca() instead of VLAs 2018-05-10T17:42:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/33a41a4fb38e45e5d64e41582654abdc6f58b011 Merge pull request #906 from akohlmey/recover-jenkins 2018-05-10T15:20:01-06:00 Steve Plimpton sjplimp@sandia.gov Recover jenkins test builds https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/79d1d3458e5de98c5bcd9ed2042e5d2096f3786e revive lib/atc/Makefile.mpic++ 2018-05-10T15:44:36-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/aa1d815fe51075676d2b87887431bbdd7adb3d1c Merge pull request #904 from jrgissing/typing_bugfix 2018-05-10T06:56:50-06:00 Steve Plimpton sjplimp@sandia.gov Retyping parameters bugfix https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/863a85353a642bad13d6d3e90f22257e6b810b58 type reassignment bugfix for edge atoms 2018-05-09T23:55:04-06:00 jrgissing jrgiss05@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/662535865fe68fe03cb15757ad2a2309039b56e5 Merge pull request #12 from lammps/master 2018-05-09T23:51:57-06:00 Jacob Gissinger jrgiss05@gmail.com rebase https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dde271db36509600768b916466b6e7d6714e0580 Merge pull request #900 from lammps/install 2018-05-09T15:10:35-06:00 Steve Plimpton sjplimp@sandia.gov Consistency tweaks to various package Install.sh files and related shell scripts https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a7a83b118d90e42f4986deb4e35830968b8d3f4a update dependencies for USER-CGSDK package. make script permissions consistent 2018-05-09T16:13:54-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8697cac6aaac72da9231d4021cde7fe32d0b4376 make QEQ package depend on MANYBODY 2018-05-09T16:06:37-04:00 Axel Kohlmeyer akohlmey@gmail.com the qeq/fire style depends on pair style comb, thus QEQ needs and explicit Install.sh file and it has to depend on MANYBODY https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/793260f22749ecb96fedfd5dff788e70e150cf15 consistency tweak to package LATTE Install.sh file 2018-05-09T11:47:57-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e5a589e05a7f81cb3f87c0e27b8e10aef0fe5fa3 Merge pull request #898 from robeme/fix_restrain_individual_energies 2018-05-09T11:43:52-06:00 Steve Plimpton sjplimp@sandia.gov Output individual energies in fix restrain https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dc8e141501d6b309ddf2f6eb68a87f8efd10d30e Merge pull request #896 from akohlmey/cplusplus-compliance-lib 2018-05-09T11:43:03-06:00 Steve Plimpton sjplimp@sandia.gov C++ style header includes and C++ standard conforming code changes in lib folder https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9f03a6798f601262eabe23897afc8e0f11bd3fe1 Merge pull request #880 from stanmoore1/kk_dep 2018-05-09T11:41:25-06:00 Steve Plimpton sjplimp@sandia.gov Remove Kokkos deprecated code https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b4e5828a6085dcc4f54d7595b914ba6e14224d7d Update fix_restrain.cpp 2018-05-08T15:36:32-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/671876efefe8c6343f542657f2620a1a60709b7f Make the description of global properties more explicit 2018-05-08T15:33:42-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8705ea9fc5db9edf0231f8e682b040effbf05a1e replace pointless use of strncat() emulating strcat() with plain strcat() 2018-05-08T08:49:05-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/16697fc4cb7d72de38442d552a9026586f2cf526 forgot to reduce energies 2018-05-08T10:46:41+02:00 robeme robert.meissner@tuhh.de https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/53fc9f1f0ffb6aeada893aff4d50e060b167891e updated doc for new fix restrain output 2018-05-08T10:11:00+02:00 robeme robert.meissner@tuhh.de https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/69605295942797b0a9d1474f4a563b34ae845a5f set appropriate flags for computing a vector in constructor of fix restrain 2018-05-08T10:02:10+02:00 robeme robert.meissner@tuhh.de https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fccc16f42ca00aee745a6d6833b10e3072b7fa77 tune OpenCL for generic architecture by default 2018-05-08T00:50:23-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e7e1827e573e70c2014d34a9ffa7c91fdb55b89f remove variable length arrays in gpu lib 2018-05-08T00:48:53-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c9817b0db99a36c9264c1e444b03573dade2d092 update src/.gitignore 2018-05-08T00:33:27-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/318dfd0613a245f3eab153e00e205a8ebedb685c correct indentation 2018-05-08T00:32:49-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f4d14c96e81fbca047de33839c866eb6a90305c3 convert poems lib to use c++-style header includes 2018-05-08T00:29:56-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3394d18a2aa4cced9832b4420bff283c65298805 convert gpu lib to use c++-style include files 2018-05-08T00:25:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ff6507e7b7324bb94a0e99ce4185207ff032f8dc convert colvars lib to use c++ style header files 2018-05-08T00:17:57-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fff962646fba2c21e91e46faf0541742ce46efdc convert awpmd header include to c++ style 2018-05-08T00:10:20-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f39a8d46d19a15a6735c319b0190b7f3ce416e3c convert atc library header files to C++ style 2018-05-08T00:05:18-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/00b92cd93bcce367a0cba28c204793b3f17493d5 Merge pull request #11 from lammps/master 2018-05-07T21:58:57-06:00 Jacob Gissinger jrgiss05@gmail.com rebase https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/808eb2a25e089dc375675f357486e4a0842f97e1 Merge pull request #895 from junghans/cmake 2018-05-07T16:43:25-06:00 Steve Plimpton sjplimp@sandia.gov cmake: remove obsolete BODY/POEMS conflict https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1888b616c4d26da4686bce74376162f988b72f09 remove some extra semicolons 2018-05-07T18:04:25-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/761b15b8f442c3ed238eb6cb996661aadeb190b0 cmake: remove obsolete BODY/POEMS conflict 2018-05-07T16:03:23-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cde6e9b7c419d678b69ea2f0ec4a5f11431c9d9f Fix CUDA issue in pair_exp6_rx_kokkos 2018-05-07T15:51:15-06:00 Stan Moore stamoor@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/104dde27ed404caaad67cb054d254401fb067622 eliminate variable length arrays from AtC lib for C++ standard compliance 2018-05-07T17:36:34-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bfdfd36c1c165f110da3bfe0eeb810a9ed23e846 Merge pull request #894 from akohlmey/cplusplus-clang-fixes 2018-05-07T14:53:43-06:00 Steve Plimpton sjplimp@sandia.gov More fixes to conform with C++ standards as indicated by Clang https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a4759210a809eaf71ea312cdbbdd56498b2eb7ac Merge pull request #893 from ohenrich/user-cgdna 2018-05-07T14:39:32-06:00 Steve Plimpton sjplimp@sandia.gov Docs update and journal reference for USER-CGDNA package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7fed6c7e4cf60889708b3165df7e83f459488476 Merge pull request #634 from craabreu/master 2018-05-07T14:39:10-06:00 Steve Plimpton sjplimp@sandia.gov Computation of forces/torques on rigid bodies moved to post_force https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/82217001c80125e34d2e41bb0c38b0a3318530c4 must use fabs() on doubles, not abs(), to avoid ambiguity 2018-05-07T15:56:35-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b2370b6986eaa538122d521ccfe8778c0fe6f63d use correct namespace when instantiating IntelBuffers; 2018-05-07T15:49:51-04:00 Axel Kohlmeyer akohlmey@gmail.com