- 22 Jul, 2015 1 commit
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Andy Simmonett authored
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- 15 Jul, 2015 1 commit
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Andy Simmonett authored
o Replaced Cartesians in the reciprocal and self PME terms. o Added non-PME spherical harmonics field generation and force evaluation routines. o Added spherical harmonic potential evaluation, to allow removal of the Cartesian moments.
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- 12 Jul, 2015 1 commit
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Andy Simmonett authored
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- 09 Jul, 2015 1 commit
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Andy Simmonett authored
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- 08 Jul, 2015 4 commits
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Andy Simmonett authored
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Andy Simmonett authored
o Permanent and induced moment energies, forces and torques are implemented, for PME direct space. o The code is activated by a preprocessor macro at the top of AmoebaReferenceMultipoleForce.h, and can be completely disabled. o Currently, the Cartesian momenents are stored alongside the spherical harmonic moments, but these can eventually be removed when the reciprocal and self terms have been adapted to use spherical harmonics (in progress) and the non-PME routines have been coded.
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peastman authored
ENH: TestVectorize8
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peastman authored
Mark clang 3.6 as unsupported for building CPU platform in cmake
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- 07 Jul, 2015 5 commits
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Robert McGibbon authored
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Robert McGibbon authored
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peastman authored
Fixed a change to AmoebaStretchBendForceProxy that broke compatibility with old files
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Robert McGibbon authored
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peastman authored
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- 06 Jul, 2015 7 commits
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peastman authored
NVRTC sadface
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Robert McGibbon authored
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peastman authored
Reverted an incorrect optimization
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peastman authored
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peastman authored
Sort plugins by length of filename before loading
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peastman authored
Swig cmake version check
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Robert McGibbon authored
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- 05 Jul, 2015 1 commit
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Robert McGibbon authored
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- 02 Jul, 2015 4 commits
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peastman authored
Moved install.sh out of harm's way into devtools/packaging
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peastman authored
Small fixes to support Intel compilers
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John Chodera (MSKCC) authored
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Robert McGibbon authored
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- 01 Jul, 2015 6 commits
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Robert McGibbon authored
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peastman authored
Fix MSVC2010 segfault
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peastman authored
Fixed an error under Python 2.6
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peastman authored
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Robert McGibbon authored
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peastman authored
Fixed bug in RPMD contractions
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- 30 Jun, 2015 4 commits
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peastman authored
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Robert McGibbon authored
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Robert McGibbon authored
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peastman authored
Record plugin load failures
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- 29 Jun, 2015 4 commits
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Robert McGibbon authored
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Robert McGibbon authored
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Robert McGibbon authored
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Robert McGibbon authored
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- 26 Jun, 2015 1 commit
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peastman authored
Removed inappropriate error checks that forced all AMOEBA parameters to be in a single file
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