lammps:a1b2f821079a515ea8d35a4bc1193910abd136dc commits - 南方科技大学 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commits/a1b2f821079a515ea8d35a4bc1193910abd136dc 2020-09-14T17:01:28-04:00 https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a1b2f821079a515ea8d35a4bc1193910abd136dc test for exceptions add example 2020-09-14T17:01:28-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/4185608e9249de7a7283e930979ac50bbfb9951a complete testing for LAMMPS configuration queries 2020-09-14T14:56:56-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b4558124344d756946d79ae0949a5355e1574b01 more tests for properties and configuration 2020-09-14T14:25:17-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f5e98045576593076e3e81b8d4bfe3efdcb86fe4 cosmetic 2020-09-14T14:24:34-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ac040dc85fabce789ef24fa924d73bcf88756240 update prototype to allow constant strings 2020-09-14T12:17:49-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f4601235c934fdcca03e47ebcf77261e6d9bf62f add tests for lammps configuration introspection via library interface 2020-09-14T12:17:24-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/155e7de8598f3e070a26a172eb14abb3c9d72850 fix bug in lammps_has_style() 2020-09-14T12:16:53-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cc86214fe2a49a82527a0498a0dd5ac1cb1ad7f2 take back too eager change 2020-09-13T17:20:29-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2438f38afc50f9ee68bbae208b67b891ebbed069 skip test if atom style is missing 2020-09-13T17:12:21-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/96a5585d65d3b66d66f3da6e48767c0bacfa35f0 use more const char pointers 2020-09-13T17:12:11-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a2fc33b419a6db1b933fc3b1825bd187363e714c update c-library tests 2020-09-13T17:02:32-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/de49325c0f11fbf3553486dcb1ebcd020466eef2 add properties example 2020-09-13T17:00:08-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/fcb38354dc76c02bc0a9b74554bcca6759dffd1e import adapted example input deck 2020-09-13T16:47:29-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/39255da6aed07f8d3457e9adfc9a1e1c0a102e2c use common main function that allows handling of common command line flags. 2020-09-13T16:46:59-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/5a0623595b73c1a9fd12dd9153d14ff58eca3a81 make char * argument of lammps_get_thermo() const 2020-09-13T16:46:13-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/101d39142ed804b5d2e76d496bae6e8c3031189f Merge pull request #2357 from akohlmey/lib-get-mpi-comm 2020-09-11T11:20:12-04:00 Axel Kohlmeyer akohlmey@gmail.com Add ability to retrieve the MPI communicator from LAMMPS instance via library/python interface https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e813e2d30ae8983c03e1c0e11d04252903e6dd86 add minimal unit test for lammps_get_mpi_comm() API 2020-09-09T22:12:47-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/bd72ef7996c345098a1327c5a28c4538ae04d049 add API to library/python interface to extract the MPI communicator 2020-09-09T22:03:11-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/cdd9d693ad4229016ae8b9733c7230b7c10dc77c Merge pull request #2349 from akohlmey/more-progguide-updates 2020-09-09T14:34:41-04:00 Axel Kohlmeyer akohlmey@gmail.com More Programmer docs updates and related code refactoring https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/e238201be54d53e89a81655e502327181ec42eff add a couple more versionadded directives 2020-09-09T13:21:19-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/790b2693baa51830574ba3c9ca847a5a8cac6cb8 Merge pull request #2353 from junghans/cmake_clean_up 2020-09-09T11:04:13-04:00 Axel Kohlmeyer akohlmey@gmail.com cmake: consistent usage of find variable https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a51bebc9e4168cc1846c604718e832cc059e6b57 Merge pull request #2340 from rbberger/container_update 2020-09-09T09:53:48-04:00 Axel Kohlmeyer akohlmey@gmail.com Singularity Container definitions update https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f4c4c623491310531c659dfa2b1a2c6785a49bc5 adjust test to updated API 2020-09-09T09:27:34-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/03d43bda3c72e603808a3f336009eb63be8e8d29 make "New in" and "Changed in" statements boldface to stand out more 2020-09-09T09:25:58-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2b854ec64fb9565675c20575b81409899d51ef8c reformulate 2020-09-09T09:25:34-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a1cf6c087ccd96135ef1b80c3995ef41f39716da no need to use a deprecated argument in a newly added API 2020-09-09T09:06:28-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/2a42fe66adb46bf86606536c0da6c6bf2604ae43 discuss change to get LAMMPS handle as return value instead of argument 2020-09-09T09:06:00-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/dad749b62b2818668f7b57fd78b27eaab21a72ec make vget()/vgot() inline functions again for optimal performance. 2020-09-08T20:52:51-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/c818a005232b025f9dda59cb8526cbd65bad5652 remove unwanted docs 2020-09-08T16:53:26-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ea0a9f00e8d2ed1633331a0a3c3dd3e70e7a65fc swap order of classes in toctree 2020-09-08T16:45:16-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ca1b5ed9367c9139f8a8a2f3ffc925b008058921 fix minor issues 2020-09-08T16:43:10-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/daf8a2313a5eb61544aee66f48b4f74eba4a2482 split developer guide into multiple files 2020-09-08T16:38:06-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/ee25ed3897c049f8181219d0f69f84f16088885a update/correct documentation for memory pool classes 2020-09-08T16:36:48-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9f4a991fc50206fb0401f7c718f187a136f6d2b5 move over doxygen comments for a few LAMMPS classes 2020-09-08T16:36:29-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9e474523820d9d95684b199cd5b9e47966bb1a47 recover compilation for platforms using malloc() instead of posix_memalign() 2020-09-08T15:36:21-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/7a9d31328eaaf513ffb545be5cee1bd07888d5f4 remove obsolete comment 2020-09-08T15:29:42-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/9f7e309f077ffe27aaa442161e105ec6ed1c21eb small updates to MyPage and convert MyPoolChunk similar to MyPage 2020-09-08T15:13:16-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/a3cc7581b198d14f1ba8ed2da4945333fea61658 rename test for memory pools 2020-09-08T15:12:08-04:00 Axel Kohlmeyer akohlmey@gmail.com https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/f72e5b6d13febbe34454727c4166017a24c197a9 Typo 2020-09-08T12:52:32-06:00 Christoph Junghans junghans@lanl.gov https://mirrors.sustech.edu.cn/git/11930499/lammps/-/commit/b008ba5ecb42f901f79ccbf0452f053742a81629 Merge remote-tracking branch 'origin/master' into cmake_clean_up 2020-09-08T12:51:49-06:00 Christoph Junghans junghans@lanl.gov