lammps:1b60f876e03bfdfba0f216ea17aaabaca9500158 commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/1b60f876e03bfdfba0f216ea17aaabaca9500158 2020-08-13T18:04:34-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1b60f876e03bfdfba0f216ea17aaabaca9500158 Some refactoring of tests 2020-08-13T18:04:34-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dbcf66cf97b82302c16067cdea3dfb51ac0f2dfc Increase coverage of dump custom 2020-08-13T17:41:06-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/eab8652d3a7cab45a4756761d405585709d11f58 Fix triclinic binary header in dump custom 2020-08-13T17:40:44-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2ba4778640c16d99da0b03c64f3384703511fd2b Add missing cleanup 2020-08-13T17:39:57-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fbcc97586fc83bb46cb9a3e5fbc5e52465c0426b Update binary format of dump custom 2020-08-13T14:45:22-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/71ec14087da1f29e3e8ab33019ba455982f99e8b Reduce code duplication in tests 2020-08-13T13:00:37-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1fb7ba9e4b74d1cca89affc1c28d85402345e953 Add tests for dump_custom 2020-08-13T12:35:47-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/27e8ee7bd8aa421e9adc591f9d277bac8a92d9fc Fix typo 2020-08-13T12:34:16-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/87a356a211d697af0ed3609f657f280b9b2fc9a3 Add write_dump tests for dump atom 2020-08-13T12:04:54-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f9697bd9f5dcf2b3c4fb260e1b66ec54ddc6913f Add optional TIME to binary dump atom format 2020-08-13T11:48:29-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6d80435b51f1c55b281cf4b282f107c68847b1ca Refactoring dump_atom.cpp 2020-08-13T11:35:05-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/836ba01d5140d63f47bea70cd7c50b2caeff952d Rename test_dump.cpp to test_dump_atom.cpp 2020-08-13T11:14:30-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7b0bfed01de877a51796bcb565545b07fbf0833a Add failure tests to dump atom 2020-08-13T11:01:16-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6d825dcb6b0a9c1029d5ca1a3d386591747680ed Add UNITS information to dump atom binary format 2020-08-13T10:49:03-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b27d63059c8845889a0a27e2144b799951d3b853 Add tests for units in dump atom 2020-08-13T10:22:46-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/3dda6b575239cf50b4cd5c79c0d4f97498bb1a53 Increase test coverage of dump atom 2020-08-11T19:00:32-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ef13372d13c7ebf14e9a574a16b2a54ce21350d4 Remove debug message 2020-08-11T18:32:58-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/873b8b0104aa965307d314551d6edea65a9c754e Add dump atom tests with image=yes 2020-08-11T18:12:53-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/560c29a0e1d100679bbaf7c29a16dd4a1015ac32 Extends header of new binary format of dump atom 2020-08-11T17:37:46-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/1238ad5d83c4005b5a05d5b6820304cd2eb11baa Fix binary2txt output for triclinic 2020-08-11T16:20:05-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b08751d65a2af0500002ddad4fad8e9791f3645a Add triclinic tests for dump atom 2020-08-11T16:17:36-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/83f81c42b95494183434349d99ea635e00f701a1 Fix typo 2020-08-11T15:08:58-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2ad9e06bac84e9b789b29f926c7242fa05b65ab4 Sync DumpAtom and binary2txt to generate the same 2020-08-11T14:59:01-04:00 Richard Berger richard.berger@temple.edu Modifies the binary dump atom format to include columns information. binary2txt showcases how to detect the new format by checking for negative ntimestep values. It increases the binary file size 16 bytes per timestep. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e3a1fd7c025fadbed79bf8a7081c8807288986f4 Add tests for dumps 2020-08-11T12:55:39-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/175a6c26a76bf63020c3bb9004a98e60ba5e688b Add Info::get_mpi_vendor() function 2020-08-10T19:02:39-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7d8dcb0fb0108a569e5feef613881a357b5a1554 Remove strtok from reader_native.cpp 2020-08-10T15:56:06-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b12f9d51503eed328489ec0ad2395480b508999e Remove strtok in thermo.cpp 2020-08-10T13:53:59-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/079cc123e52d97c08825a944214914d83d5ef974 Remove unused function 2020-08-10T12:27:08-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e2b113b5e186376a55dbdf84dc52d076155c963b Merge branch 'master' into refactor-reading 2020-08-10T12:25:16-04:00 Richard Berger richard.berger@temple.edu https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/6f1055a9b11d47e2a332fad5aefa70aaa4516d25 Merge pull request #2281 from jtclemm/patch_fix_store 2020-08-10T12:09:08-04:00 Axel Kohlmeyer akohlmey@gmail.com Patch fix store to encode the size of per-atom data consistently with other related fixes for restarting. https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e3beec8b958ebaf61b2b1080b6fd31ee770aa6ca revert permission change and replace 'b/c' with 'because' 2020-08-10T11:37:52-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/d0720794a68a3510c21a3025d1654ef593d548ad Replaced mistakenly dropped line 2020-08-08T09:24:37-06:00 jtclemm jtclemm@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/41904f7946994e7ebeea729883919fc918042297 Added cautionary comments 2020-08-08T09:15:56-06:00 jtclemm jtclemm@sandia.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2775b9378964968f8b84cceb27a4572ae31757e1 Merge pull request #2282 from akohlmey/more-unit-tests 2020-08-07T19:06:44-04:00 Axel Kohlmeyer akohlmey@gmail.com Add more unit tests for pair and kspace styles https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/54b933164fc7ef8e145d23f8bc376dccb4209594 tweak epsilon 2020-08-07T18:34:39-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7aae5ba5d17cfac39f226d75f7814420a334be1f set molecule ids for testing interlayer potentials 2020-08-07T18:34:25-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/17b7476217a7407a434274d668cc25f8dcc87cfd avoid sqrt computation on cutoffs. make single functions consistent with compute 2020-08-07T18:34:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9f469623c03ceac5a0831ce7bd88a1e54a177e84 add test for lj/smooth/linear and gaus/cut 2020-08-07T18:13:58-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e169a5c78531cd32f1ded4db36b929455bb12c00 add tests for pair style coul/streitz 2020-08-07T18:06:57-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a17633bd20967411598b7c35d11a658a73af0f04 use open_potential in pair style coul/streitz 2020-08-07T18:06:43-04:00 Axel Kohlmeyer akohlmey@gmail.com