lammps:d598e7c60efa5f04e98d7ec0523c3db8a356d209 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/d598e7c60efa5f04e98d7ec0523c3db8a356d209 2018-08-01T15:54:46+02:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d598e7c60efa5f04e98d7ec0523c3db8a356d209 rename preprocessor guard to prevent multiple inclusion to be consistent with... 2018-08-01T15:54:46+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/42948b60ee7ef0cf8028d938ec594e42071e08db corrections for broken links in the html docs 2018-08-01T14:37:03+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d877a12e0ca4f9e43d91fcfa6202c7bb1630c942 Merge branch 'fix_xrd_histo' of https://github.com/king-michael/lammps into c... 2018-08-01T13:57:56+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c8be5a3f2d9258a5390e78b4c68a2a842bbf34a9 change ave/histo to ave/histo/weight 2018-08-01T11:11:18+02:00 Michael King michael.king@uni-konstanz.de https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/77e5445bfe967dac65406aa62ac0a70ba6a4d35c Need to purge old pair_cdeam.* files 2018-07-31T14:16:54-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/eb967a8a6c5c4b67e42221afef8ad6320f2a1ef3 Merge pull request #1027 from akohlmey/move-cdeam 2018-07-31T10:39:18-06:00 Steve Plimpton sjplimp@sandia.gov Move pair style eam/cd from USER-MISC to MANYBODY https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2b7b61d5b7a36d08f3d647acbea9eccd853dbf7f Merge pull request #1023 from amritagos/patch-1 2018-07-31T10:38:47-06:00 Steve Plimpton sjplimp@sandia.gov docs: Fix spelling mistakes and clarify Tools.txt https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ff351bd5f7738e7b8e4b8d4b7bdf54066c731e87 Merge pull request #1022 from HaoZeke/updateEmacs 2018-07-31T10:38:26-06:00 Steve Plimpton sjplimp@sandia.gov emacs: Update mode file https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c6186bf00d5adcfd11d07c2393f306a1695d587e whitespace and formatting update 2018-07-31T17:36:49+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e9d40d3c6dc389c8fe3b144349fae04e12b0fb86 rename class from PairCDEAM to PairEAMCD 2018-07-31T17:16:18+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8c0955aaff1eb950680fb95fda82e0b9298b0c44 Merge pull request #1025 from lammps/doc-reorg-speed-packages 2018-07-31T08:58:49-06:00 Steve Plimpton sjplimp@sandia.gov changes to Packages and Speed doc files https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/67e70316deedfa95f21edbb9674bacca3dd7d3b0 rename pair_cdeam.* to pair_eam_cd.* 2018-07-31T16:58:44+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bbaf522430fdb5010d0395ef004aa67ce20acb40 Merge pull request #1024 from akohlmey/cmake-dependencies-fixups 2018-07-31T08:50:33-06:00 Steve Plimpton sjplimp@sandia.gov Resolve object dependency problems for CMake build system https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6dad2f59d8bc4ecc68604b712d0072c303e3f2e9 list @HaoZeke as (new) owner of the LAMMPS emacs mode list code 2018-07-31T11:06:09+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/50fe2097822785f596d98e2750a40e2224af0fae mention -*- cookie for switching emacs modes and clarify file pattern text 2018-07-31T10:24:36+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/24e293326dd290bd94a904d21c4db68ff4a3c2de Remove disabled line and add comment on package dependencies 2018-07-31T09:36:35+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f3615e83e8f8e72e3c6ad995f9b6fda1aed64946 move pair style eam/cd from USER-MISC to MANYBODY and update docs accordingly 2018-07-31T09:18:37+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/18a7b1ab4f51b289127beca2df91f88354c7eb90 Fix broken links and duplicate TOC 2018-07-30T21:32:12-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/57cd1ab55ad6b1f319e01230f25075c73788de93 Add missing extension 2018-07-30T19:13:26-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/34f619ea1d6514d6e231c5acbd8f8589ee77047a Update lammps.book 2018-07-30T19:04:52-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a8e2a0a54b8de399db306ee5c3d1ebd31b3c2396 Merge pull request #1019 from rbberger/cmake_updates 2018-07-30T15:18:47-06:00 Steve Plimpton sjplimp@sandia.gov CMake updates https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d9c328932fac636d6d0d187bde2fdeb9ea3884e7 changes to Packages and Speed doc files 2018-07-30T12:31:12-06:00 Steven J. Plimpton sjplimp@singsing.sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ee822bec1be9b7bac77c6ca014568da467e80440 selectively handle dependency of qeq/fire on MANYBODY 2018-07-30T20:04:31+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b02362b94317eb503c1994a1e0eaab374f4b00e6 add manual treatment of source dependencies between USER-REAXC and USER-OMP 2018-07-30T19:09:16+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/82c9e8a52c88f32617adbe1d54a4aff106724071 add explicit pattern based dependencies for CORESHELL packages, so KSPACE is ... 2018-07-30T18:56:56+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2bb11ef47ab9f6ed23d2e3b7811543c0dda43834 Merge pull request #1021 from akohlmey/spin-package-fixes 2018-07-30T10:39:35-06:00 Steve Plimpton sjplimp@sandia.gov SPIN package fixes, especially for DMI https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4a8f2c2d2932c9c82efec753fadc1d089325bc19 Merge pull request #1020 from akohlmey/coverity-inspired-fixes 2018-07-30T10:39:08-06:00 Steve Plimpton sjplimp@sandia.gov Coverity inspired fixes to BODY package https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/882e1e5138387bfe6b68333ba4364e8d3b13f13c resolve dependency problem between RIGID and USER-OMP package 2018-07-30T18:32:28+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b76f86602a4f7fb2cdfa7464f276b45e9dbe9e06 docs: Fix spelling mistakes and clarify Tools.txt 2018-07-30T21:18:59+05:30 Amrita Goswami 32496815+amritagos@users.noreply.github.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a00d7becc30ae782fe3d991e7cc8693ae5ed5b9b emacs: Major readme update and refactor 2018-07-30T20:51:28+05:30 HaoZeke rohit.goswami@aol.com Also update the license and switch to GPL v2 like lammps https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2c9e96be116bafca79671625fa7fb2539343a334 emacs: Stop forcing filename patterns 2018-07-30T19:58:18+05:30 HaoZeke rohit.goswami@aol.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/82fc3b99d9049bbd98ec2fd55ffebfd58f823c29 emacs: Update mode file 2018-07-30T19:37:01+05:30 HaoZeke rohit.goswami@aol.com This is a squashed commit including the following changes: 1) Update mode header 2) Clean up white-space 3) Fix free variable warning 4) Add proper file ending stuff 5) Rename to keep conventional naming scheme 6) Updates to the readme 7) Update to conform to `package-lint` criteria 8) Add license header 9) Add in-file instructions https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fa9b46fb40dcaba96802ad88dcebde7816eac36f Add BUILD_DOC option to CMake README.md 2018-07-29T00:08:20-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8fccf6b9b4535bc2fb2dc801804e9c640fdad469 Use absolute paths for docenv 2018-07-28T23:31:50-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/99985a1d5bc4072db6e1858b6b99223f080fdd51 Add profile.d files to set LAMMPS_POTENTIALS environment variable 2018-07-27T20:31:53-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6cd7299920a56d75c9d7d9cde5946d61c1e03dba update CODEOWNERS file to automatically notify @julient31 on changes to the S... 2018-07-27T12:10:43+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/28993d98237b2b10b5f894de1557b4a24b2744c8 Commit JT 072618 2018-07-27T12:00:15+02:00 julient31 julien.tranchida1@gmail.com - improvements documentation (dmi and exchange) - correction error cross product in pair_spin_dmi.cpp - implementation mech. part in pair_spin_dmi.cpp - correction in all pairs: init_one for [j][i] couples - correction in atom_vec_spin.cpp: index error in read_data - some improvements in pair_spin_dmi.cpp and pair_spin_magelec.cpp https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2af88dcc26a32215568d168869a0d35f6aa4b9f0 avoid uninitialized variables 2018-07-27T10:39:01+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/8075b98fc53f1c56ac449c6fa428f34452b158d8 initialize rsqinv 2018-07-27T10:24:38+02:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f63e2b6eaf8d7370eaff5ea7e3bacfa10bd05a4c simplify code and guarantee that "mode" is initialized 2018-07-27T10:24:15+02:00 Axel Kohlmeyer akohlmey@gmail.com