"Fossies" - the Fresh Open Source Software Archive

Contents of gromacs-2021.tar.gz (28 Jan 14:38, 35061679 Bytes)

About: GROMACS performs molecular dynamics, i.e. simulates the Newtonian equations of motion for systems with hundreds to millions of particles (designed for biochemical molecules but used also for e.g. polymers). Release of 2020 series.



Fossies downloads: /linux/privatgromacs-2021.tar.gz  (tar.bz2|tar.xz|zip)
Fossies services: Doxygen docs | Diffs report | CLOC analysis
Original URL: https://ftp.gromacs.org/pub/gromacs/gromacs-2021.tar.gz
Home page: http://www.gromacs.org/
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      dir 2021-01-28 14:37 src/gromacs/nbnxm/
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      dir 2021-01-28 14:37 src/gromacs/nbnxm/kernel_file_generator/
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      dir 2021-01-28 14:37 src/gromacs/nbnxm/cuda/
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      dir 2021-01-28 14:37 src/gromacs/nbnxm/kernels_reference/
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      dir 2021-01-28 14:37 src/gromacs/nbnxm/kernels_simd_4xm/
    3943 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp
    3870 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp
    3793 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp
    3732 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_F.cpp
    3948 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp
    3896 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp
    3741 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_VF.cpp
    3945 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp
    3769 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VF.cpp
    3701 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_F.cpp
    3892 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp
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    3906 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp
    3945 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp
    3769 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_F.cpp
    3763 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VF.cpp
    3739 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VF.cpp
    3793 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp
    3989 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp
    3741 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_VF.cpp
    3890 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp
    3740 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_F.cpp
    3893 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp
    3915 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp
    3772 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp
    5851 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/CMakeLists.txt
    3917 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp
    3818 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp
    3920 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp
    3821 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp
    3868 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp
    3699 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VF.cpp
    3774 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_F.cpp
    3782 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp
    3826 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp
    3767 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJPSw_VF.cpp
    3865 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp
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    3895 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp
    3751 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJ_VgrpF.cpp
    3824 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp
    3920 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp
    3917 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp
    3743 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJFSw_F.cpp
    3828 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_F.cpp
    3766 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_VF.cpp
    3867 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp
    3895 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp
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    3815 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp
    3856 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp
    3791 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp
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    3790 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp
    3854 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp
    3865 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp
    3796 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp
    3863 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp
    3794 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp
    3878 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp
    3768 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombGeom_F.cpp
    3741 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJPSw_F.cpp
    3702 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VF.cpp
    3893 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp
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   12900 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernels.h
    6963 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_common.h
    3771 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJFSw_F.cpp
    3744 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VF.cpp
    3898 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp
    3942 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp
    3864 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp
    3970 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp
    4019 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp
    3914 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp
    3862 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp
    3743 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJCombLB_F.cpp
    3846 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp
    3738 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJPSw_F.cpp
    3796 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp
    3746 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJCombLB_F.cpp
    3754 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEw_VdwLJ_VgrpF.cpp
    2485 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_prune.h
    3738 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecRF_VdwLJFSw_VF.cpp
    3991 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp
    4041 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_4xm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp
    3021 2021-01-28 14:36 src/gromacs/nbnxm/pairlistparams.cpp
    5028 2021-01-28 14:36 src/gromacs/nbnxm/pairlistwork.h
      dir 2021-01-28 14:37 src/gromacs/nbnxm/kernels_simd_2xmm/
    3961 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VgrpF.cpp
    3888 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_F.cpp
    3811 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VgrpF.cpp
    3750 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_F.cpp
    3966 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VgrpF.cpp
    3914 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_VF.cpp
    3759 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_VF.cpp
    3963 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VgrpF.cpp
    3787 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VF.cpp
    3719 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_F.cpp
    3910 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_F.cpp
    6484 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.cpp
    3924 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VgrpF.cpp
    3963 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VgrpF.cpp
    3787 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_F.cpp
    3781 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VF.cpp
    3757 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VF.cpp
    3811 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VgrpF.cpp
    4007 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VF.cpp
    3759 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_VF.cpp
    3908 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VF.cpp
    3758 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_F.cpp
    3911 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_F.cpp
    3933 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VgrpF.cpp
    3790 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VF.cpp
    5851 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/CMakeLists.txt
    3935 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VgrpF.cpp
    3836 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VgrpF.cpp
    3938 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_F.cpp
    3839 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJFSw_VgrpF.cpp
    3886 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VF.cpp
    3717 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VF.cpp
    3792 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_F.cpp
    3800 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VgrpF.cpp
    3844 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VF.cpp
    3785 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VF.cpp
    3883 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_VF.cpp
   21155 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_outer.h
    3913 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_F.cpp
    3769 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJ_VgrpF.cpp
    3842 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombLB_VgrpF.cpp
    3938 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombLB_VgrpF.cpp
    3935 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VgrpF.cpp
    3761 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJFSw_F.cpp
    3846 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_F.cpp
    3784 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_VF.cpp
    3885 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_F.cpp
    3913 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_F.cpp
    3722 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_F.cpp
    3833 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_VgrpF.cpp
    3874 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_F.cpp
    3809 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_VgrpF.cpp
    4085 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VgrpF.cpp
    3808 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VgrpF.cpp
    3872 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJ_VF.cpp
    3883 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_F.cpp
    3814 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_F.cpp
    3881 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJPSw_VF.cpp
    3812 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VF.cpp
    3896 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJ_VgrpF.cpp
    3786 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombGeom_F.cpp
    3759 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJPSw_F.cpp
    3720 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VF.cpp
    3911 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJFSw_VF.cpp
   29916 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_inner.h
    3883 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJFSw_VF.cpp
    3885 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJEwCombGeom_F.cpp
    3837 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJPSw_VgrpF.cpp
    3748 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJ_VF.cpp
    3909 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJPSw_VF.cpp
    3806 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VgrpF.cpp
    3911 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJEwCombGeom_VF.cpp
    3936 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VF.cpp
    3783 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombGeom_F.cpp
    3754 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_VF.cpp
    4035 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_VF.cpp
   13084 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernels.h
    5152 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_common.h
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    3762 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VF.cpp
    3916 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombLB_F.cpp
    3960 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJCombGeom_VgrpF.cpp
    3882 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_F.cpp
    3988 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJCombGeom_VgrpF.cpp
    4037 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTabTwinCut_VdwLJEwCombGeom_F.cpp
    3932 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VgrpF.cpp
    3880 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJEwCombGeom_VF.cpp
    3761 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJCombLB_F.cpp
    3864 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecQSTab_VdwLJCombGeom_VgrpF.cpp
    3756 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJPSw_F.cpp
    3814 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_VgrpF.cpp
    3764 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJCombLB_F.cpp
    3772 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEw_VdwLJ_VgrpF.cpp
    2490 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_prune.h
    3756 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecRF_VdwLJFSw_VF.cpp
    4009 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_F.cpp
    4059 2021-01-28 14:36 src/gromacs/nbnxm/kernels_simd_2xmm/kernel_ElecEwTwinCut_VdwLJEwCombGeom_VgrpF.cpp
    2845 2021-01-28 14:36 src/gromacs/nbnxm/nbnxm_simd.h
    4676 2021-01-28 14:36 src/gromacs/nbnxm/prunekerneldispatch.cpp
    8496 2021-01-28 14:36 src/gromacs/nbnxm/pairsearch.h
    2278 2021-01-28 14:36 src/gromacs/nbnxm/gpu_jit_support.h
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    8567 2021-01-28 14:36 src/gromacs/nbnxm/gridset.cpp
    3859 2021-01-28 14:36 src/gromacs/nbnxm/pairsearch.cpp
    7739 2021-01-28 14:36 src/gromacs/nbnxm/gridset.h
   22539 2021-01-28 14:36 src/gromacs/nbnxm/kerneldispatch.cpp
    4937 2021-01-28 14:36 src/gromacs/nbnxm/kernel_common.h
    4526 2021-01-28 14:36 src/gromacs/nbnxm/nbnxm_geometry.h
   10085 2021-01-28 14:36 src/gromacs/nbnxm/pairlist.h
    7574 2021-01-28 14:36 src/gromacs/nbnxm/gpu_types_common.h
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    3885 2021-01-28 14:36 src/gromacs/nbnxm/boundingboxes.h
   19025 2021-01-28 14:36 src/gromacs/nbnxm/gpu_common.h
    2075 2021-01-28 14:36 src/gromacs/nbnxm/pairlistset.cpp
   20815 2021-01-28 14:36 src/gromacs/nbnxm/nbnxm.h
   10621 2021-01-28 14:36 src/gromacs/nbnxm/pairlist_simd_2xmm.h
    8824 2021-01-28 14:36 src/gromacs/nbnxm/nbnxm.cpp
      dir 2021-01-28 14:37 src/gromacs/nbnxm/benchmark/
    6587 2021-01-28 14:36 src/gromacs/nbnxm/benchmark/bench_system.cpp
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    4748 2021-01-28 14:36 src/gromacs/nbnxm/benchmark/bench_setup.h
   54103 2021-01-28 14:36 src/gromacs/nbnxm/grid.cpp
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      dir 2021-01-28 14:37 src/gromacs/options/
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      dir 2021-01-28 14:37 src/gromacs/options/tests/
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      dir 2021-01-28 14:37 src/gromacs/options/tests/refdata/
     425 2021-01-28 14:36 src/gromacs/options/tests/refdata/TreeValueSupportTest_SupportsIntegerOption.xml
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     315 2021-01-28 14:36 src/gromacs/options/tests/refdata/TreeValueSupportAdjustTest_FillsDefaultVectorValues.xml
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     429 2021-01-28 14:36 src/gromacs/options/tests/refdata/TreeValueSupportTest_SupportsInt64Option.xml
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    8534 2021-01-28 14:36 src/gromacs/utility/listoflists.h
   10920 2021-01-28 14:36 src/gromacs/utility/enumerationhelpers.h
    8080 2021-01-28 14:36 src/gromacs/utility/any.h
    9024 2021-01-28 14:36 src/gromacs/utility/mdmodulenotification.h
    9856 2021-01-28 14:36 src/gromacs/utility/strconvert.h
    4108 2021-01-28 14:36 src/gromacs/utility/txtdump.h
   19890 2021-01-28 14:36 src/gromacs/utility/binaryinformation.cpp
    6649 2021-01-28 14:36 src/gromacs/utility/real.h
   17355 2021-01-28 14:36 src/gromacs/utility/exceptions.cpp
    3339 2021-01-28 14:36 src/gromacs/utility/programcontext.cpp
    2689 2021-01-28 14:36 src/gromacs/utility/errorformat.h
    3685 2021-01-28 14:36 src/gromacs/utility/basenetwork.h
    6239 2021-01-28 14:36 src/gromacs/utility/path.h
    4331 2021-01-28 14:36 src/gromacs/utility/errorformat.cpp
    2476 2021-01-28 14:36 src/gromacs/utility/int64_to_int.h
    8559 2021-01-28 14:36 src/gromacs/utility/smalloc.cpp
    5990 2021-01-28 14:36 src/gromacs/utility/fileredirector.h
    4652 2021-01-28 14:36 src/gromacs/utility/flags.h
    3845 2021-01-28 14:36 src/gromacs/utility/physicalnodecommunicator.cpp
      dir 2021-01-28 14:37 src/gromacs/listed_forces/
    3281 2021-01-28 14:36 src/gromacs/listed_forces/pairs.h
    4868 2021-01-28 14:36 src/gromacs/listed_forces/orires.h
   23935 2021-01-28 14:36 src/gromacs/listed_forces/orires.cpp
   31244 2021-01-28 14:36 src/gromacs/listed_forces/gpubondedkernels.cu
    8103 2021-01-28 14:36 src/gromacs/listed_forces/gpubonded_impl.h
    8416 2021-01-28 14:36 src/gromacs/listed_forces/gpubonded.h
    2086 2021-01-28 14:36 src/gromacs/listed_forces/CMakeLists.txt
   12807 2021-01-28 14:36 src/gromacs/listed_forces/restcbt.h
  141590 2021-01-28 14:36 src/gromacs/listed_forces/bonded.cpp
    7787 2021-01-28 14:36 src/gromacs/listed_forces/bonded.h
      dir 2021-01-28 14:37 src/gromacs/listed_forces/tests/
    1770 2021-01-28 14:36 src/gromacs/listed_forces/tests/CMakeLists.txt
   31952 2021-01-28 14:36 src/gromacs/listed_forces/tests/bonded.cpp
      dir 2021-01-28 14:37 src/gromacs/listed_forces/tests/refdata/
    1341 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_10.xml
    4043 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_12.xml
    4026 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_16.xml
    1359 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_13.xml
    1359 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_8.xml
    4076 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_16.xml
    1351 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_23.xml
    1387 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_7.xml
    1392 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_19.xml
    1359 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_21.xml
    1348 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_1.xml
    4049 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_9.xml
    1344 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Polarize_ListedForcesTest_Ifunc_4.xml
    1333 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/AngleZero_ListedForcesTest_Ifunc_2.xml
    1362 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_12.xml
    4041 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_9.xml
    1348 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_2.xml
    4043 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_14.xml
    4016 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_1.xml
    1386 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_17.xml
    1392 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_20.xml
    1341 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_7.xml
    4040 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_16.xml
    1382 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_5.xml
    1352 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_20.xml
    1348 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_0.xml
    4076 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_17.xml
    1382 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_31.xml
    1384 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_2.xml
    1387 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_8.xml
    1354 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Polarize_ListedForcesTest_Ifunc_8.xml
    1139 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/BondZeroLength_ListedForcesTest_Ifunc_2.xml
    1333 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/AngleZero_ListedForcesTest_Ifunc_1.xml
    1342 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_3.xml
    4135 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_5.xml
    1386 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_15.xml
    4016 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_2.xml
    1384 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_1.xml
    3997 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_2.xml
    1382 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_30.xml
    1387 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_6.xml
    3996 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_6.xml
    4043 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_13.xml
    4040 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_15.xml
    1139 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/BondZeroLength_ListedForcesTest_Ifunc_1.xml
    4016 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_0.xml
    3997 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_1.xml
    1354 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Polarize_ListedForcesTest_Ifunc_7.xml
    1239 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Polarize_ListedForcesTest_Ifunc_9.xml
    1348 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Polarize_ListedForcesTest_Ifunc_2.xml
    4049 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_10.xml
    1359 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_6.xml
    1354 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Polarize_ListedForcesTest_Ifunc_6.xml
    1390 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_24.xml
    1387 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_12.xml
    1333 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/AngleZero_ListedForcesTest_Ifunc_0.xml
    1384 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_0.xml
    4041 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_10.xml
    4026 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_17.xml
    1342 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_4.xml
    4026 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_15.xml
    1239 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Polarize_ListedForcesTest_Ifunc_11.xml
    1139 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/BondZeroLength_ListedForcesTest_Ifunc_0.xml
    1387 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_14.xml
    1341 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_11.xml
    1342 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_5.xml
    3996 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_8.xml
    4152 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_11.xml
    1382 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_4.xml
    1352 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_19.xml
    1341 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_8.xml
    1359 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_22.xml
    1359 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_14.xml
    4135 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_3.xml
    1359 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_23.xml
    3996 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_7.xml
    3997 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_0.xml
    4020 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_4.xml
    1390 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_26.xml
    1392 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_18.xml
    1351 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_22.xml
    4152 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_9.xml
    1382 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_32.xml
    4076 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Restraints_ListedForcesTest_Ifunc_15.xml
    1239 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Polarize_ListedForcesTest_Ifunc_10.xml
    1352 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_18.xml
    4040 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_17.xml
    1382 2021-01-28 14:36 src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifu