Commits · eded2c6ce78517c3b357c4b9cc7156e3f1ccd5d6 · tsoc / openmm

26 Feb, 2013 1 commit
- No commit message · eded2c6c
  Yutong Zhao authored Feb 26, 2013
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No commit message
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  eded2c6c
18 Dec, 2012 1 commit
- Fixed compilation errors on some older compilers · 6a83f3ee
  Peter Eastman authored Dec 18, 2012
  
  6a83f3ee
14 Dec, 2012 1 commit

When converting to fixed point, multiply by 0x100000000 instead of 0xFFFFFFFF.... · 18355094

Peter Eastman authored Dec 14, 2012

When converting to fixed point, multiply by 0x100000000 instead of 0xFFFFFFFF.  This should be (very very slightly) more accurate, since its reciprocal can be exactly represented in floating point.

18355094

25 Oct, 2012 1 commit
- Kinetic energy is computed by the Integrator so it can adjust for leapfrog displacements · 925b00ec
  Peter Eastman authored Oct 25, 2012
  
  925b00ec
18 Oct, 2012 1 commit
- Assorted cleanup and bug fixes · 1de2e2a0
  Peter Eastman authored Oct 18, 2012
  
  1de2e2a0
02 Oct, 2012 1 commit
- Began implementing new mixed precision model that does integration in double... · 9ad85ebd
  Peter Eastman authored Oct 02, 2012
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Began implementing new mixed precision model that does integration in double precision and force evaluation in single precision
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  9ad85ebd
28 Sep, 2012 1 commit
- Renamed cuda2 platform to cuda · 58b094ce
  Peter Eastman authored Sep 28, 2012
  
  58b094ce
03 Jul, 2012 1 commit
- Fixed bugs when using double precision · cf112a25
  Peter Eastman authored Jul 03, 2012
  
  cf112a25
28 Jun, 2012 2 commits
- Optimization: use mapped memory to communicate when CCMA is converged · f0c2e89c
  Peter Eastman authored Jun 28, 2012
  
  f0c2e89c
- Merged lots of kernels into fewer files to reduce compilation time · 1afb079f
  Peter Eastman authored Jun 28, 2012
  
  1afb079f
19 Jun, 2012 1 commit
- Continuing to implement new CUDA platform: virtual sites · bf1f6f32
  Peter Eastman authored Jun 19, 2012
  
  bf1f6f32
16 Jun, 2012 1 commit

Continuing to implement new CUDA platform: constraints, LangevinIntegrator,... · ecbbf442

Peter Eastman authored Jun 16, 2012

Continuing to implement new CUDA platform: constraints, LangevinIntegrator, BrownianIntegrator, VariableLangevinIntegrator, VariableVerletIntegrator

ecbbf442

08 Jun, 2012 1 commit
- Continuing to implement new CUDA platform: HarmonicBondForce and VerletIntegrator · 6e434a02
  Peter Eastman authored Jun 08, 2012
  
  6e434a02
07 Jun, 2012 1 commit
- Continuing to implement new CUDA platform · 1f0ec7b5
  Peter Eastman authored Jun 07, 2012
  
  1f0ec7b5
11 May, 2012 2 commits
- Fixed bugs in checkpointing · fcdba25c
  Peter Eastman authored May 11, 2012
  
  fcdba25c
- Implemented checkpointing · 188bf2ef
  Peter Eastman authored May 11, 2012
  
  188bf2ef
25 Jan, 2012 1 commit
- OpenCL implementation of virtual sites · 94ecc958
  Peter Eastman authored Jan 25, 2012
  
  94ecc958
11 Jan, 2012 1 commit
- Continuing to implement OpenCL CustomIntegrator: added velocity constraints... · 12c95e78
  Peter Eastman authored Jan 11, 2012
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Continuing to implement OpenCL CustomIntegrator: added velocity constraints (not yet fully debugged)
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  12c95e78
22 Sep, 2011 1 commit
- Optimizations to CCMA · 82f9a867
  Peter Eastman authored Sep 22, 2011
  
  82f9a867
18 Aug, 2011 1 commit
- Fixed bugs in OpenCL RPMD · 7f1da383
  Peter Eastman authored Aug 18, 2011
  
  7f1da383
09 Aug, 2011 1 commit
- Fixed bugs that caused constraints to fail when some were implemented with... · 192b5c6b
  Peter Eastman authored Aug 09, 2011
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Fixed bugs that caused constraints to fail when some were implemented with CCMA and some with a different method
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  192b5c6b
15 Jul, 2011 1 commit
- Fixed bug in identifying shake clusters · c14b0b8e
  Peter Eastman authored Jul 15, 2011
  
  c14b0b8e
07 Jul, 2011 1 commit
- Optimized CCMA · d98bd6b0
  Peter Eastman authored Jul 07, 2011
  
  d98bd6b0
28 Apr, 2011 1 commit
- Added pthreads library for Windows. Fixed other errors and warnings under Windows. · cb75edd4
  Peter Eastman authored Apr 28, 2011
  
  cb75edd4
01 Jun, 2010 1 commit
- Fixed a problem with numerical precision that sometimes prevented SHAKE clusters being recognized · 94a151b1
  Peter Eastman authored Jun 01, 2010
  
  94a151b1
22 May, 2010 1 commit
- Fixed some compilation warnings · 729bcde9
  Peter Eastman authored May 22, 2010
  
  729bcde9
26 Apr, 2010 1 commit
- Optimized OpenCL version of CCMA · 62a83f80
  Peter Eastman authored Apr 26, 2010
  
  62a83f80
10 Feb, 2010 1 commit
- Added an include that was required by some compilers · 7443ceac
  Peter Eastman authored Feb 10, 2010
  
  7443ceac
06 Feb, 2010 1 commit
- Implemented CCMA for OpenCL platform · 74c3def4
  Peter Eastman authored Feb 06, 2010
  
  74c3def4
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
13 Nov, 2009 1 commit
- Eliminated use of rand() and srand(), which are not thread safe · 37b2436e
  Peter Eastman authored Nov 13, 2009
  
  37b2436e
06 Nov, 2009 1 commit
- Created OpenCL implementations of AndersenThermostat and BrownianIntegrator. Also fixed some bugs. · cc5467e7
  Peter Eastman authored Nov 06, 2009
  
  cc5467e7
30 Sep, 2009 1 commit
- Bug fixes and simplifications to integration · 4c489434
  Peter Eastman authored Sep 30, 2009
  
  4c489434
29 Sep, 2009 1 commit
- Created OpenCL implementations of SETTLE and LangevinIntegrator (not yet fully debugged). · ebbc40e3
  Peter Eastman authored Sep 29, 2009
  
  ebbc40e3
25 Sep, 2009 1 commit
- Created OpenCL implementations of VerletIntegrator and SHAKE. · efc1083e
  Peter Eastman authored Sep 25, 2009
  
  efc1083e