- 11 May, 2016 4 commits
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peastman authored
Fix error check for GBneck parameters
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Jason Swails authored
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Jason Swails authored
this PR
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Jason Swails authored
This doesn't lead to incorrect results, but it does erroneously flag some radii as being illegal when they aren't (making it impossible to run some suggested systems). The parameters need to be compared to the table limits *before* subtracting off the offset, whereas it's currently being done after.
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- 10 May, 2016 1 commit
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peastman authored
Fixed error using CMAP with GRO files on Python 3
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- 09 May, 2016 1 commit
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peastman authored
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- 05 May, 2016 4 commits
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peastman authored
CPU platform shares neighbor list between forces
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peastman authored
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peastman authored
Changing box vectors does not change positions
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Peter Eastman authored
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- 25 Apr, 2016 5 commits
- 22 Apr, 2016 2 commits
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peastman authored
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Peter Eastman authored
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- 21 Apr, 2016 6 commits
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Peter Eastman authored
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Peter Eastman authored
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peastman authored
Changed mechanism for setting barostat temperature
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Peter Eastman authored
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peastman authored
Periodic boundary conditions for AMOEBA bonded forces
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Peter Eastman authored
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- 20 Apr, 2016 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 19 Apr, 2016 2 commits
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peastman authored
Fixed error in Continuous3DFunction on CUDA and OpenCL
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Peter Eastman authored
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- 18 Apr, 2016 2 commits
- 15 Apr, 2016 2 commits
- 13 Apr, 2016 5 commits
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peastman authored
Optimized energy minimization when adding hydrogens
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peastman authored
Update README.md
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peastman authored
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peastman authored
Allow periodic boundary conditions for bonded forces
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Peter Eastman authored
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- 12 Apr, 2016 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 10 Apr, 2016 1 commit
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Timothy Cyrus authored
Change Badge from PNG to SVG
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- 04 Apr, 2016 1 commit
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peastman authored
In mixed or double mode, don't select devices that don't support double
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