BioD PNPI Git Repos - alexxy/gromacs.git/commit

biod.pnpi.spb.ru / alexxy / gromacs.git / commit

author	Sebastian Kehl <sebastian.kehl@mpcdf.mpg.de>
	Fri, 8 Oct 2021 15:26:07 +0000 (15:26 +0000)
committer	Joe Jordan <ejjordan12@gmail.com>
	Fri, 8 Oct 2021 15:26:07 +0000 (15:26 +0000)
commit	f117e4eee515dc781efccef5b039ea53002b1d9f
tree	b20cd6f7b75e0e972cd4abc3cd54c1830604a137	tree \| snapshot
parent	df0f6b317ca50adb0cbef35fe9ec46271c134257	commit \| diff

Adapt testcases for gapsys softcore

41 files changed:

src/gromacs/gmxlib/nonbonded/tests/nb_free_energy.cpp		diff \| blob \| history
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_36.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_37.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_38.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_39.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_40.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_41.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_42.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_43.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_44.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_45.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_46.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_47.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_48.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_49.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_50.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_51.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_52.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_53.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_54.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_55.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_56.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_57.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_58.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_59.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_60.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_61.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_62.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_63.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_64.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_65.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_66.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_67.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_68.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_69.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_70.xml	[new file with mode: 0644]	blob
src/gromacs/gmxlib/nonbonded/tests/refdata/NBInteraction_NonbondedFepTest_testKernel_71.xml	[new file with mode: 0644]	blob
src/gromacs/listed_forces/tests/pairs.cpp		diff \| blob \| history
src/gromacs/listed_forces/tests/refdata/14Interaction_ListedForcesPairsTest_Ifunc_0.xml		diff \| blob \| history
src/gromacs/listed_forces/tests/refdata/14Interaction_ListedForcesPairsTest_Ifunc_1.xml		diff \| blob \| history
src/gromacs/listed_forces/tests/refdata/14Interaction_ListedForcesPairsTest_Ifunc_2.xml		diff \| blob \| history

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