| commit | 88825ae46b77e3ce510fddd0f205c45c5abe8c73 | |
| author | David van der Spoel <spoel@xray.bmc.uu.se> | |
| Fri, 23 Nov 2018 21:05:22 +0000 (23 22:05 +0100) | ||
| committer | David van der Spoel <spoel@xray.bmc.uu.se> | |
| Wed, 5 Dec 2018 14:58:16 +0000 (5 15:58 +0100) | ||
| tree | 90b7abb2e92f0f222cc748b9e5684c107a4ef8bc | treesnapshot (tar.gz zip) |
| parent | 4070beebfa35b27b479689cf96acd54c77e24b17 | commitdiff |
Added new testing code for normal mode analysis.
Part of #2771
Change-Id: Ifb44841b36be5076fe8d77d5982876f881fdc69b
Part of #2771
Change-Id: Ifb44841b36be5076fe8d77d5982876f881fdc69b
| src/programs/mdrun/tests/CMakeLists.txt | diffblobblamehistory | |
| src/programs/mdrun/tests/moduletest.cpp | diffblobblamehistory | |
| src/programs/mdrun/tests/moduletest.h | diffblobblamehistory | |
| src/programs/mdrun/tests/normalmodes.cpp | [new file with mode: 0644] | blob |
| src/programs/mdrun/tests/refdata/NormalModesWorks_NormalModesTest_WithinTolerances_0.xml | [new file with mode: 0644] | blob |
| src/programs/mdrun/tests/simulationdatabase.cpp | diffblobblamehistory | |
| src/testutils/simulationdatabase/scaled-water.g96 | [new file with mode: 0644] | blob |
| src/testutils/simulationdatabase/scaled-water.ndx | [new file with mode: 0644] | blob |
| src/testutils/simulationdatabase/scaled-water.top | [new file with mode: 0644] | blob |