- 11 Jul, 2014 3 commits
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Jason Swails authored
itself. This way each parm is only read once for every test (rather than being read for every test, even when they're not used, as part of the setUp routine). For large systems, this makes the tests run a lot faster (for small systems it's not a large speedup). All tests continue to pass. This change also tests that the various calls to createSystem and such do not actually change the object in a detrimental way.
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peastman authored
Docstring for ForceField constructor
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Robert McGibbon authored
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- 10 Jul, 2014 5 commits
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peastman authored
Fix lepton size_t VS2013 warnings by casting to int.
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Christopher Dembia authored
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Christopher Dembia authored
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peastman authored
Lots of changes to support Android
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Peter Eastman authored
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- 08 Jul, 2014 3 commits
- 07 Jul, 2014 4 commits
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Jason Swails authored
the switchDistance argument to CharmmPsfFile.createSystem(). Also add a check to protect against negative switching distances.
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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- 06 Jul, 2014 1 commit
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John Chodera (MSKCC) authored
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- 05 Jul, 2014 15 commits
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
Added numpy to build requirements (for testing) and set OPENMM_PLUGIN_DIR to enable locating imports.
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
Now try to install OpenMM tests as well (though these may need to be placed in a subdirectory or have `OpenMM` inserted into their names). Also try to get more debug information to make C tests run.
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- 04 Jul, 2014 9 commits
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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John Chodera (MSKCC) authored
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