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Add nblib backend: Part 1 of 2
commit268793f1b319487174303e2e6351de7acf0931bc
authorJoe Jordan <ejjordan12@gmail.com>
Mon, 28 Sep 2020 17:21:12 +0000 (28 17:21 +0000)
committerJoe Jordan <ejjordan12@gmail.com>
Mon, 28 Sep 2020 17:21:12 +0000 (28 17:21 +0000)
tree64d3885206e5d30ed94cf0bf64ca9d6ba6c6cc91tree | snapshot (tar.gz zip)
parentb9e8608369585af08ed552df030cd586358aa36fcommit | diff
Add nblib backend: Part 1 of 2
21 files changed:
api/nblib/CMakeLists.txt diff | blob | blame | history
api/nblib/interactions.cpp [new file with mode: 0644] blob
api/nblib/molecules.cpp [new file with mode: 0644] blob
api/nblib/particletype.cpp [copied from api/nblib/tests/box.cpp with 63% similarity] diff | blob | blame | history
api/nblib/tests/CMakeLists.txt diff | blob | blame | history
api/nblib/tests/box.cpp diff | blob | blame | history
api/nblib/tests/interactions.cpp [new file with mode: 0644] blob
api/nblib/tests/molecules.cpp [new file with mode: 0644] blob
api/nblib/tests/particletype.cpp [copied from api/nblib/tests/box.cpp with 65% similarity] diff | blob | blame | history
api/nblib/tests/testsystems.cpp [new file with mode: 0644] blob
api/nblib/tests/testsystems.h [new file with mode: 0644] blob
api/nblib/tests/topology.cpp [new file with mode: 0644] blob
api/nblib/topology.cpp [new file with mode: 0644] blob
api/nblib/topology.h diff | blob | blame | history
api/nblib/topologyhelpers.cpp [new file with mode: 0644] blob
api/nblib/util/CMakeLists.txt diff | blob | blame | history
api/nblib/util/internal.h [new file with mode: 0644] blob
api/nblib/util/tests/CMakeLists.txt [copied from api/nblib/util/CMakeLists.txt with 85% similarity] diff | blob | blame | history
api/nblib/util/tests/refdata/NBlibTest_GeneratedVelocitiesAreCorrect.xml [new file with mode: 0644] blob
api/nblib/util/tests/user.cpp [copied from api/nblib/tests/box.cpp with 54% similarity] diff | blob | blame | history
api/nblib/util/user.cpp [new file with mode: 0644] blob
The ultimate molecular dynamics simulation package