Commits · 9e4cf5795c555ef570eb1a9d986293861f055fed · tsoc / openmm

09 Jan, 2012 1 commit
- Continuing to implement OpenCL CustomIntegrator: added position constraints,... · 9e4cf579
  Peter Eastman authored Jan 09, 2012
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Continuing to implement OpenCL CustomIntegrator: added position constraints, and use double precision where possible
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  9e4cf579
19 Sep, 2011 1 commit
- Minor optimizations to custom forces · 84f5e008
  Peter Eastman authored Sep 19, 2011
  
  84f5e008
13 Jan, 2011 1 commit
- Fixed bug in evaluating tabulated functions · 3c16ceff
  Peter Eastman authored Jan 13, 2011
  
  3c16ceff
11 Oct, 2010 1 commit
- Custom functions are now represented by natural splines · 4e1e1b11
  Peter Eastman authored Oct 11, 2010
  
  4e1e1b11
29 Jul, 2010 1 commit
- Fixed error when evaluating a tabulated function exactly at its end · b1232a0f
  Peter Eastman authored Jul 29, 2010
  
  b1232a0f
20 Jul, 2010 1 commit
- Use native_exp and native_log when they are sufficiently accurate · c87cee06
  Peter Eastman authored Jul 20, 2010
  
  c87cee06
07 Jun, 2010 1 commit
- Minor optimization to evaluating custom expressions · 454f9c52
  Peter Eastman authored Jun 07, 2010
  
  454f9c52
16 Apr, 2010 1 commit
- min(), max(), and abs() can appear in expressions · a5e272e2
  Peter Eastman authored Apr 16, 2010
  
  a5e272e2
16 Jan, 2010 1 commit
- Fixed compilation error under Windows · 3f11ad2c
  Peter Eastman authored Jan 16, 2010
  
  3f11ad2c
13 Jan, 2010 1 commit
- Fixed a compilation error under Linux · dec115db
  Peter Eastman authored Jan 13, 2010
  
  dec115db
05 Jan, 2010 2 commits
- Fixed compilation warnings under Windows · 53539843
  Peter Eastman authored Jan 05, 2010
  
  53539843
- erf() and erfc() can appear in expressions · 5c24a611
  Peter Eastman authored Jan 05, 2010
  
  5c24a611
23 Dec, 2009 1 commit
- Fixed compilation errors under Windows · bd9b78ba
  Peter Eastman authored Dec 23, 2009
  
  bd9b78ba
17 Dec, 2009 1 commit
- Implementing FFT for OpenCL · 7901ce20
  Peter Eastman authored Dec 17, 2009
  
  7901ce20
05 Dec, 2009 1 commit
- Beginnings of OpenCL implementation of CustomGBForce · 51fc3bd2
  Peter Eastman authored Dec 05, 2009
  
  51fc3bd2
19 Nov, 2009 1 commit
- Implemented step function in custom expressions · 2f81944d
  Peter Eastman authored Nov 19, 2009
  
  2f81944d
12 Nov, 2009 2 commits
- Optimization to evaluating integral powers in custom expressions · 1e52c490
  Peter Eastman authored Nov 12, 2009
  
  1e52c490
- Optimization to evaluating tabulated functions · d0ce27f1
  Peter Eastman authored Nov 12, 2009
  
  d0ce27f1
03 Nov, 2009 2 commits
- Added support for sinh(), cosh(), and tanh() functions. · 43ebedfb
  Peter Eastman authored Nov 03, 2009
  
  43ebedfb
- A few optimizations. Also added a new test case. · 48d93893
  Peter Eastman authored Nov 03, 2009
  
  48d93893
02 Nov, 2009 1 commit
- Finished OpenCL implementation of CustomNonbondedForce. Also implemented a few optimizations. · 72d59cbe
  Peter Eastman authored Nov 02, 2009
  
  72d59cbe
30 Oct, 2009 1 commit
- Began OpenCL implementation of CustomNonbondedForce · 84d482e2
  Peter Eastman authored Oct 30, 2009
  
  84d482e2