biod.pnpi.spb.ru / alexxy / gromacs.git / commit
| author | Joe Jordan <ejjordan12@gmail.com> | |
| Thu, 7 Oct 2021 07:35:17 +0000 (07:35 +0000) | ||
| committer | Mark Abraham <mark.j.abraham@gmail.com> | |
| Thu, 7 Oct 2021 07:35:17 +0000 (07:35 +0000) | ||
| commit | 7dd70297e3473d978bd3ca22882c0336771ed20b | |
| tree | 5b284fc0f14a7b7cbce7da5d86bd7e177b88f380 | tree | snapshot |
| parent | 066ab51a001e9abc999987e43062e1cd0958b03f | commit | diff |
| api/nblib/CMakeLists.txt | diff | blob | history | |
| api/nblib/gmxbackenddata.h | [moved from api/nblib/gmxcalculator.h with 57% similarity] | diff | blob | history |
| api/nblib/gmxcalculator.cpp | [deleted file] | blob | history |
| api/nblib/gmxcalculatorcpu.cpp | [new file with mode: 0644] | blob |
| api/nblib/gmxcalculatorcpu.h | [new file with mode: 0644] | blob |
| api/nblib/nblib.h | diff | blob | history | |
| api/nblib/nbnxmsetuphelpers.cpp | diff | blob | history | |
| api/nblib/nbnxmsetuphelpers.h | diff | blob | history | |
| api/nblib/samples/argon-forces-integration.cpp | diff | blob | history | |
| api/nblib/samples/methane-water-integration.cpp | diff | blob | history | |
| api/nblib/systemdescription.h | [new file with mode: 0644] | blob |
| api/nblib/tests/gmxcalculator.cpp | diff | blob | history | |
| api/nblib/tests/nbkernelsystem.cpp | diff | blob | history | |
| api/nblib/tests/refdata/NBlibTest_ArgonEnergiesAreCorrect.xml | [new file with mode: 0644] | blob |
| api/nblib/tests/refdata/NBlibTest_ArgonVirialsAreCorrect.xml | [new file with mode: 0644] | blob |