Commits · 6ab4299606ead49624f539a5026eb2eb4901a91e · tsoc / openmm

18 Aug, 2011 1 commit
- Change suggested by Tony Tye to simplify debugging by including all... · 6ab42996
  Peter Eastman authored Aug 18, 2011
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Change suggested by Tony Tye to simplify debugging by including all compilation options in the kernel source
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  6ab42996
07 Jul, 2011 1 commit
- Switched back to always using the bundled cl.hpp, since the previous code... · f9d0115f
  Peter Eastman authored Jul 07, 2011
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Switched back to always using the bundled cl.hpp, since the previous code didn't work on some OpenCL implementations
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  f9d0115f
05 Jul, 2011 1 commit
- Implemented faster version of charge spreading on GPUs that support 64 bit atomics · ec3ee586
  Peter Eastman authored Jul 05, 2011
  
  ec3ee586
04 May, 2011 1 commit
- Use the preinstalled cl.hpp if it's available · e68471ec
  Peter Eastman authored May 04, 2011
  
  e68471ec
26 Apr, 2011 1 commit
- Use a separate host thread for each device · 6e3526b4
  Peter Eastman authored Apr 26, 2011
  
  6e3526b4
21 Apr, 2011 1 commit
- Began implementing multi-GPU support · e861abbc
  Peter Eastman authored Apr 21, 2011
  
  e861abbc
22 Mar, 2011 1 commit
- Disabled compiler optimizations for integrator kernels, since they caused excessive error on Fermi · 017e60c5
  Peter Eastman authored Mar 22, 2011
  
  017e60c5
18 Mar, 2011 1 commit
- Minor improvements to Doxygen comments · 524bf8cb
  Peter Eastman authored Mar 18, 2011
  
  524bf8cb
14 Mar, 2011 1 commit
- Fixed compilation errors in debug mode · 3b859566
  Peter Eastman authored Mar 14, 2011
  
  3b859566
20 Aug, 2010 1 commit
- Continuing changes to reduce memory use for large systems · a8fe9cea
  Peter Eastman authored Aug 20, 2010
  
  a8fe9cea
19 Jul, 2010 1 commit
- Created OpenCL implementation of CMAPTorsionForce · 258fd0f1
  Peter Eastman authored Jul 19, 2010
  
  258fd0f1
01 Jun, 2010 1 commit
- Allow multiple buffers to be cleared by a single kernel, improving performance on small systems. · ef8a3447
  Peter Eastman authored Jun 01, 2010
  
  ef8a3447
07 May, 2010 1 commit
- Periodic box dimensions can be changed in the middle of a simulation · bcc6216d
  Peter Eastman authored May 07, 2010
  
  bcc6216d
28 Apr, 2010 1 commit
- Optimization to OpenCL platform: use tabulated values for erfc() · 40891bab
  Peter Eastman authored Apr 28, 2010
  
  40891bab
26 Apr, 2010 1 commit
- Fixed compilation error under Windows · e1a9418d
  Peter Eastman authored Apr 26, 2010
  
  e1a9418d
12 Jan, 2010 1 commit
- OpenCL kernels are now stored into a C++ class at build time rather than... · 6bbef600
  Peter Eastman authored Jan 12, 2010
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OpenCL kernels are now stored into a C++ class at build time rather than installing them as text files.
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  6bbef600
05 Jan, 2010 1 commit
- Fixed compilation warnings under Windows · 53539843
  Peter Eastman authored Jan 05, 2010
  
  53539843
23 Dec, 2009 1 commit
- Fixed compilation errors under Windows · bd9b78ba
  Peter Eastman authored Dec 23, 2009
  
  bd9b78ba
09 Dec, 2009 1 commit
- Continuing OpenCL implementation of CustomGBForce · 7eec4930
  Peter Eastman authored Dec 09, 2009
  
  7eec4930
07 Nov, 2009 1 commit
- Fixed two bugs · 8365dede
  Peter Eastman authored Nov 07, 2009
  
  8365dede
06 Nov, 2009 2 commits
- Created OpenCL implementations of AndersenThermostat and BrownianIntegrator. Also fixed some bugs. · cc5467e7
  Peter Eastman authored Nov 06, 2009
  
  cc5467e7
- Created (not yet fully debugged) OpenCL implementation of... · 3cf5495a
  Peter Eastman authored Nov 06, 2009
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Created (not yet fully debugged) OpenCL implementation of VariableVerletIntegrator and VariableLangevinIntegrator.
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  3cf5495a
21 Oct, 2009 1 commit
- Created OpenCL implementation of NonbondedForce that works with non-Nvidia processors · e43f14bf
  Peter Eastman authored Oct 21, 2009
  
  e43f14bf
08 Oct, 2009 1 commit
- Finished implementing cutoffs and periodic boundary conditions · a8e9c99a
  Peter Eastman authored Oct 08, 2009
  
  a8e9c99a
06 Oct, 2009 2 commits
- Refactored nonbonded kernel to allow the same code to be used for other forces · 072fc120
  Peter Eastman authored Oct 06, 2009
  
  072fc120
- Continuing implementation of nonbonded forces · c3125421
  Peter Eastman authored Oct 06, 2009
  
  c3125421
01 Oct, 2009 1 commit
- Began implementing nonbonded forces · 3976ad91
  Peter Eastman authored Oct 01, 2009
  
  3976ad91
25 Sep, 2009 3 commits
- Created OpenCL implementations of VerletIntegrator and SHAKE. · efc1083e
  Peter Eastman authored Sep 25, 2009
  
  efc1083e
- Created OpenCL implementation of RBTorsionForce. · 695c066f
  Peter Eastman authored Sep 25, 2009
  
  695c066f
- Created OpenCL implementations of HarmonicBondForce, HarmonicAngleForce, and PeriodicTorsionForce. · 0634e3cc
  Peter Eastman authored Sep 25, 2009
  
  0634e3cc
24 Sep, 2009 2 commits
- Select the fastest OpenCL device automatically · 9532c446
  Peter Eastman authored Sep 24, 2009
  
  9532c446
- Continuing implementation of OpenCL platform. · ad4e1203
  Peter Eastman authored Sep 24, 2009
  
  ad4e1203
23 Sep, 2009 1 commit
- Changes to support compilation on Snow Leopard · afbf885d
  Peter Eastman authored Sep 23, 2009
  
  afbf885d
18 Sep, 2009 1 commit
- Continuing implementation of OpenCL platform · b3781c23
  Peter Eastman authored Sep 18, 2009
  
  b3781c23
17 Sep, 2009 1 commit
- Very beginnings of support for OpenCL · 437ca02f
  Peter Eastman authored Sep 17, 2009
  
  437ca02f
14 Jul, 2009 1 commit
- Renamed OpenMMContext to Context · a4020466
  Peter Eastman authored Jul 14, 2009
  
  a4020466
14 May, 2009 1 commit
- Updated license for Cuda platform to LGPL. · 10379a9a
  Peter Eastman authored May 14, 2009
  
  10379a9a
21 Apr, 2009 1 commit
- Moved header files into an openmm subdirectory · 644cc275
  Peter Eastman authored Apr 21, 2009
  
  644cc275
04 Jun, 2008 1 commit
- Began implementing CudaPlatform · 74a8266f
  Peter Eastman authored Jun 04, 2008
  
  74a8266f
19 Apr, 2008 1 commit
- Continuing to implement ReferencePlatform · 012b28e6
  Peter Eastman authored Apr 19, 2008
  
  012b28e6