"wrappers/vscode:/vscode.git/clone" did not exist on "7bf291e09979bfafd206859656e97e2960310d67"
- 13 Apr, 2016 1 commit
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Peter Eastman authored
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- 14 Jan, 2016 1 commit
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Peter Eastman authored
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- 13 Jan, 2016 1 commit
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Peter Eastman authored
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- 12 Jan, 2016 1 commit
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Peter Eastman authored
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- 11 Jan, 2016 2 commits
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Jason Swails authored
errors.
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Jason Swails authored
This copies the fix for the AmoebaTorsionTorsionForce over to the other two forces that calculate angles via the inverse cosine -- specifically the in-plane angle force and the stretch-bend force. The TorsionTorsion fix did not completely solve the occasional simulation blowup, although it did make it a *lot* less frequent (it went from happening within 5 minutes to happening ~once per day).
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- 09 Jan, 2016 1 commit
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Peter Eastman authored
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- 07 Jan, 2016 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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- 05 Jan, 2016 1 commit
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Peter Eastman authored
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- 19 Dec, 2015 1 commit
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Peter Eastman authored
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- 16 Dec, 2015 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 09 Dec, 2015 4 commits
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Andy Simmonett authored
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Andy Simmonett authored
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Andy Simmonett authored
The forces were not correct for different uind/uinp as a result.
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Andy Simmonett authored
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- 08 Dec, 2015 2 commits
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Andy Simmonett authored
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Andy Simmonett authored
Non-PME OPT calculations now use a much more efficient Cartesian field algorithm for the dipole response force terms.
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- 26 Oct, 2015 1 commit
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Robert T. McGibbon authored
New advanced options OPENMM_BUILD_CPU_TESTS, OPENMM_BUILD_SERIALIZATION_TESTS, OPENMM_BUILD_REFERENCE_TESTS were added to the cmake configuration and disabled in the OpenCL test matrix element to increase speed. Redundant or unnecessary apt packages removed from the travis installation.
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- 07 Oct, 2015 1 commit
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Peter Eastman authored
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- 05 Oct, 2015 1 commit
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Peter Eastman authored
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- 02 Oct, 2015 1 commit
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Peter Eastman authored
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- 25 Sep, 2015 3 commits
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Andy Simmonett authored
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Andy Simmonett authored
The QI direct space energy uses the energy functional U = 1/4 (E_p µ_d + E_d µ_p) while the code it replaced uses the equivalent form U = 1/2 E_p µ_d Therefore the reciprocal and self terms have been adapted to use the more symmetric form. The bad code yielded incorrect energies when PME is used AND µ_d and µ_p are different. The forces and torques were not affected. -
Andy Simmonett authored
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- 24 Sep, 2015 1 commit
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Andy Simmonett authored
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- 23 Sep, 2015 1 commit
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Andy Simmonett authored
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- 22 Sep, 2015 1 commit
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Andy Simmonett authored
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- 21 Sep, 2015 1 commit
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Peter Eastman authored
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- 10 Sep, 2015 1 commit
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Peter Eastman authored
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- 03 Sep, 2015 1 commit
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peastman authored
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- 27 Aug, 2015 1 commit
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peastman authored
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- 24 Aug, 2015 1 commit
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peastman authored
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- 21 Aug, 2015 2 commits
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Peter Eastman authored
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peastman authored
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- 20 Aug, 2015 3 commits