Add tests for calcvir
authorJoe Jordan <ejjordan12@gmail.com>
Mon, 29 Mar 2021 13:03:56 +0000 (13:03 +0000)
committerArtem Zhmurov <zhmurov@gmail.com>
Mon, 29 Mar 2021 13:03:56 +0000 (13:03 +0000)
commit6c3cdb08865124fa37dfac4b6424d4afac8597ab
tree9e10236acfda965c15520786d565c5c0aa104231
parent1be7d224fe843bf4f3dba8ca054f10ada5d9e31f
Add tests for calcvir
src/gromacs/mdlib/tests/CMakeLists.txt
src/gromacs/mdlib/tests/calcvir.cpp [new file with mode: 0644]
src/gromacs/mdlib/tests/refdata/CalcvirTest_CanCalculateVirialAllAtomsInBox.xml [new file with mode: 0644]
src/gromacs/mdlib/tests/refdata/CalcvirTest_CanCalculateVirialAllAtomsInBoxScrew.xml [new file with mode: 0644]
src/gromacs/mdlib/tests/refdata/CalcvirTest_CanCalculateVirialAtomsOutOfBoxScrewX.xml [new file with mode: 0644]
src/gromacs/mdlib/tests/refdata/CalcvirTest_CanCalculateVirialAtomsOutOfBoxScrewXYZ.xml [new file with mode: 0644]
src/gromacs/mdlib/tests/refdata/CalcvirTest_CanCalculateVirialAtomsOutOfBoxScrewY.xml [new file with mode: 0644]
src/gromacs/mdlib/tests/refdata/CalcvirTest_CanCalculateVirialAtomsOutOfBoxScrewZ.xml [new file with mode: 0644]