"wrappers/vscode:/vscode.git/clone" did not exist on "05e0c4f9d86bc793359ba126b5e7f81c793b04fb"
- 11 Oct, 2013 1 commit
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peastman authored
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- 10 Oct, 2013 1 commit
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peastman authored
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- 15 Aug, 2013 1 commit
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peastman authored
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- 14 Aug, 2013 1 commit
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peastman authored
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- 08 Jul, 2013 1 commit
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peastman authored
Platform specific header files get installed. This allows plugins to be built with just an OpenMM installation, not a full source tree.
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- 04 May, 2013 1 commit
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Peter Eastman authored
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- 22 Mar, 2013 1 commit
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Peter Eastman authored
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- 16 Mar, 2012 1 commit
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Peter Eastman authored
NonbondedForce sometimes included energy terms that weren't appropriate to the specified force groups
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- 14 Feb, 2012 1 commit
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Peter Eastman authored
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- 17 Mar, 2011 1 commit
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Peter Eastman authored
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- 04 Jan, 2011 1 commit
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Peter Eastman authored
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- 03 Jan, 2011 1 commit
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Peter Eastman authored
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- 21 Jul, 2010 1 commit
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Peter Eastman authored
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- 01 Apr, 2010 1 commit
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Peter Eastman authored
All platforms now handle nonbonded exceptions in a consistent way (they ignore cutoffs and periodic boundary conditions). Also started OpenCL implementation of CustomHbondForce.
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- 30 Mar, 2010 1 commit
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Peter Eastman authored
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- 10 Feb, 2010 1 commit
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Peter Eastman authored
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- 05 Feb, 2010 1 commit
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Mark Friedrichs authored
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- 19 Nov, 2009 1 commit
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Peter Eastman authored
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- 18 Nov, 2009 1 commit
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Peter Eastman authored
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- 28 Oct, 2009 1 commit
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Peter Eastman authored
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- 23 Oct, 2009 1 commit
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Peter Eastman authored
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- 10 Sep, 2009 1 commit
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Peter Eastman authored
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- 19 Aug, 2009 1 commit
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Mark Friedrichs authored
The differences in the Ewald energies between the Reference and Cuda platforms were traced to roundoff error in the computation of the Vdw and Coulomb ixns for the short-range energy contribution (verified using double precision in the sum); the vdw and Coulomb terms are now accumulated separately and then added to the total energy
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- 18 Aug, 2009 1 commit
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Peter Eastman authored
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- 15 Aug, 2009 1 commit
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Mark Friedrichs authored
In Ewald SR portion of code, the LJ contribution to dEdR was missing a factor of (inverseR*inverseR)
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- 14 Aug, 2009 1 commit
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Peter Eastman authored
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- 11 Aug, 2009 1 commit
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Peter Eastman authored
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- 08 Aug, 2009 1 commit
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Peter Eastman authored
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- 07 Aug, 2009 1 commit
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Kai Kohlhoff authored
All energies existing in Preview Release 3 now run on the GPU, new Ewald energy terms still use Reference implementation
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- 06 Aug, 2009 1 commit
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Pall Szilard authored
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- 30 Jul, 2009 1 commit
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Peter Eastman authored
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- 17 Jul, 2009 1 commit
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Rossen Apostolov authored
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- 10 Jul, 2009 1 commit
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Michael Sherman authored
Fixed some MSVC conversion warnings and moved method-local inclusion of pme.h up to start of LJ file -- it wouldn't compile when included locally due to attempt to match extern binding with anonymous struct type.
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- 07 Jul, 2009 1 commit
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Rossen Apostolov authored
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- 02 Jul, 2009 1 commit
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Peter Eastman authored
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- 30 Jun, 2009 1 commit
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Peter Eastman authored
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- 15 May, 2009 1 commit
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Rossen Apostolov authored
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- 23 Apr, 2009 1 commit
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Michael Sherman authored
(2) Changed erfc.cpp to a header file which defines missing erf() and erfc() as static functions when using VC++ but otherwise does nothing. (3) Replaced all nonstandard uses of real() and imag() methods as lvalues; instead work directly with the complex values. (4) Fixed a bug in TestFindExclusions which was caught by VC++'s extensive STL debug mode self-examination. There are still problems in hilbert.c and not all CUDA tests pass.
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- 22 Apr, 2009 1 commit
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Peter Eastman authored
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- 06 Apr, 2009 1 commit
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Rossen Apostolov authored
Implemented the Ewald summation method in the reference platform. Preliminary cuda prototype is included.
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