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(parent: 5a2a31b) | patch
Add unit test for the nonbonded fep kernel.
authorSebastian Kehl <sebastian.kehl@mpcdf.mpg.de>
Mon, 12 Apr 2021 15:10:18 +0000 (15:10 +0000)
committerPaul Bauer <paul.bauer.q@gmail.com>
Mon, 12 Apr 2021 15:10:18 +0000 (15:10 +0000)
commita8138a0428499a16b50c12b477158f199867eb52
treefada7d9adce002b7d5e2e67539551f216c515b4btree | snapshot
parent5a2a31b12591abf07000de418b1dba869573806ccommit | diff
Add unit test for the nonbonded fep kernel.
39 files changed:
src/gromacs/gmxlib/CMakeLists.txt diff | blob | history
src/gromacs/gmxlib/nonbonded/tests/CMakeLists.txt [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/nb_free_energy.cpp [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_0.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_1.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_10.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_11.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_12.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_13.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_14.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_15.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_16.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_17.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_18.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_19.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_2.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_20.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_21.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_22.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_23.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_24.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_25.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_26.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_27.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_28.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_29.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_3.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_30.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_31.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_32.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_33.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_34.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_35.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_4.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_5.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_6.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_7.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_8.xml [new file with mode: 0644] blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_9.xml [new file with mode: 0644] blob
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