- 27 Jun, 2014 6 commits
- 25 Jun, 2014 1 commit
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peastman authored
Fix error in setting up AMOEBA systems when useDispersionCorrection is specified (retry)
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- 24 Jun, 2014 3 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
Removed 'void' declarations from getCutoff/getCutoffDistance methods so that swigInputBuilder.py would correctly wrap return values.
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- 23 Jun, 2014 3 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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- 22 Jun, 2014 1 commit
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John Chodera (MSKCC) authored
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- 17 Jun, 2014 1 commit
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peastman authored
Fix Clang warning about unhandled enum values.
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- 16 Jun, 2014 3 commits
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peastman authored
In travis, use multiple cores.
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Christopher Dembia authored
Travis VM's have up through 2 cores. Passing a -j2 flag should make/ctest the builds/tests faster.
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Christopher Dembia authored
Clang had been generating the following warning: ``` ParsedExpression.cpp:123:13: warning: 30 enumeration values not handled in switch: 'CONSTANT', 'VARIABLE', 'CUSTOM'... [-Wswitch] switch (node.getOperation().getId()) { ^ 1 warning generated. ``` To get rid of this warning, I added a default case, which does nothing.
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- 13 Jun, 2014 2 commits
- 12 Jun, 2014 2 commits
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peastman authored
Fix residue assignment in PSF parser
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Jason Swails authored
(which means that consecutive residues may have the same residue number _and_ name, but are different residues).
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- 11 Jun, 2014 3 commits
- 10 Jun, 2014 7 commits
- 09 Jun, 2014 1 commit
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Matthew Harrigan authored
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- 07 Jun, 2014 1 commit
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Matthew Harrigan authored
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- 06 Jun, 2014 3 commits
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peastman authored
Improve unit handling in charmm crd file classes.
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Jason Swails authored
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peastman authored
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- 03 Jun, 2014 3 commits
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peastman authored
Fixed a crash with virtual sites in double precision mode
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peastman authored
Fix Amber inpcrd file in the examples directory
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Jason Swails authored
the 3rd and 4th columns, making it an invalid Amber inpcrd file (which the new parser cannot handle).
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