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(parent: ed8d2ec) | patch
NBLIB listed forces API update
authorJoe Jordan <ejjordan12@gmail.com>
Wed, 4 Nov 2020 13:28:54 +0000 (13:28 +0000)
committerJoe Jordan <ejjordan12@gmail.com>
Wed, 4 Nov 2020 13:28:54 +0000 (13:28 +0000)
commit264729f600fedc3acce45c99bc066f1523e95658
treedf8c32b7ee5287a94a7130e41157baef4a6d2e2ftree | snapshot
parented8d2ec3f14097b8b3f7ee41b9aa06ed687ed49dcommit | diff
NBLIB listed forces API update

- added a listed forces calculator for the user-facing API
- expanded documentation
- reduced boilerplate
- addressed review comments
15 files changed:
api/nblib/CMakeLists.txt diff | blob | history
api/nblib/listed_forces/CMakeLists.txt [new file with mode: 0644] blob
api/nblib/listed_forces/bondtypes.h [new file with mode: 0644] blob
api/nblib/listed_forces/calculator.h [new file with mode: 0644] blob
api/nblib/listed_forces/definitions.h [new file with mode: 0644] blob
api/nblib/listed_forces/tests/CMakeLists.txt [new file with mode: 0644] blob
api/nblib/listed_forces/tests/bondtypes.cpp [new file with mode: 0644] blob
api/nblib/listed_forces/traits.h [new file with mode: 0644] blob
api/nblib/molecules.h diff | blob | history
api/nblib/nblib.h diff | blob | history
api/nblib/ppmap.h [new file with mode: 0644] blob
api/nblib/topology.h diff | blob | history
api/nblib/topologyhelpers.h diff | blob | history
docs/nblib/listed-data-format.rst [new file with mode: 0644] blob
docs/nblib/listed-dev.rst [new file with mode: 0644] blob
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