- 06 Dec, 2012 1 commit
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Peter Eastman authored
Fixed test failures caused by linking to the same library twice, once statically and once dynamically
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- 29 Nov, 2012 3 commits
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Peter Eastman authored
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Peter Eastman authored
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Peter Eastman authored
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- 27 Nov, 2012 1 commit
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Peter Eastman authored
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- 26 Nov, 2012 1 commit
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Lee-Ping Wang authored
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- 24 Nov, 2012 2 commits
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Lee-Ping Wang authored
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Lee-Ping Wang authored
Simple fix to combining rules allowing AMOEBA VdW parameters to be zero. Zero parameter excludes all interactions involving that particle, in agreement with TINKER.
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- 22 Nov, 2012 1 commit
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Peter Eastman authored
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- 21 Nov, 2012 2 commits
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Peter Eastman authored
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Lee-Ping Wang authored
Commented out some minor optimizations in AMOEBA that were making the forces incorrect. AMOEBA energies and forces now agree with TINKER to within 1e-9 (fractional energy) 1e-5 (fractional RMS force error) for NPT simulations on rectangular water boxes with PME and direct or mutual polarizability.
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- 20 Nov, 2012 1 commit
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Lee-Ping Wang authored
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- 16 Nov, 2012 1 commit
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Peter Eastman authored
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- 01 Nov, 2012 1 commit
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Peter Eastman authored
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- 31 Oct, 2012 1 commit
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Peter Eastman authored
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- 30 Oct, 2012 2 commits
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Peter Eastman authored
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Mark Friedrichs authored
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- 22 Oct, 2012 1 commit
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Peter Eastman authored
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- 20 Oct, 2012 1 commit
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Peter Eastman authored
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- 14 Oct, 2012 1 commit
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Mark Friedrichs authored
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- 12 Oct, 2012 1 commit
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Peter Eastman authored
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- 02 Oct, 2012 1 commit
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Peter Eastman authored
Began implementing new mixed precision model that does integration in double precision and force evaluation in single precision
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- 30 Sep, 2012 1 commit
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Mark Friedrichs authored
Modified Reference platform of AmoebaVdwForce to handle PBC, cutoffs, tapering and dispersion correction
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- 28 Sep, 2012 3 commits
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Peter Eastman authored
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Peter Eastman authored
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Peter Eastman authored
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- 27 Sep, 2012 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 25 Sep, 2012 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 24 Sep, 2012 1 commit
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Peter Eastman authored
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- 22 Sep, 2012 1 commit
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Peter Eastman authored
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- 21 Sep, 2012 1 commit
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Mark Friedrichs authored
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- 20 Sep, 2012 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 19 Sep, 2012 1 commit
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Peter Eastman authored
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- 17 Sep, 2012 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 14 Sep, 2012 1 commit
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Peter Eastman authored
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- 13 Sep, 2012 1 commit
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Peter Eastman authored
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