Commits · 8eaf3c9c14b3a42db4c26af127533d846c63736f · tsoc / openmm

19 Oct, 2015 2 commits
- Update based on code review · b00edc8e
  Robert T. McGibbon authored Oct 19, 2015
  
  b00edc8e
- Fix for r=0 in periodicdistance · fd792ec1
  Robert T. McGibbon authored Oct 19, 2015
  
  fd792ec1
18 Sep, 2015 1 commit
- Created OpenCL implementation of periodicdistance() · eaef52d9
  peastman authored Sep 18, 2015
  
  eaef52d9
06 May, 2015 1 commit
- Implemented select() in custom expressions · 2b7bbdb0
  peastman authored May 06, 2015
  
  2b7bbdb0
13 Feb, 2015 1 commit
- Custom expressions support floor() and ceil(). · dce6a437
  peastman authored Feb 13, 2015
  
  dce6a437
23 Oct, 2014 1 commit
- Minor optimization to discrete tabulated functions · 87ea8433
  Peter Eastman authored Oct 23, 2014
  
  87ea8433
18 Aug, 2014 1 commit
- avoid syntax error if tabulated function min is negative · e30242b6
  Mike Garrahan authored Aug 18, 2014
  
  e30242b6
31 Jan, 2014 1 commit
- Renamed methods for dealing with TabulatedFunctions to avoid problems in... · 75a04e7f
  peastman authored Jan 31, 2014
```
Renamed methods for dealing with TabulatedFunctions to avoid problems in wrapper APIs.  Also fixed a few bugs.
```
  75a04e7f
30 Jan, 2014 1 commit
- Created OpenCL and CUDA implementations of Continuous3DFunction · 3279c73a
  peastman authored Jan 30, 2014
  
  3279c73a
29 Jan, 2014 1 commit
- Created OpenCL and CUDA implementations of Continuous2DFunction · 9434c6e8
  peastman authored Jan 29, 2014
  
  9434c6e8
27 Jan, 2014 1 commit

Tabulated function parameters are hardcoded in the kernel instead of being... · 0a1a011d

peastman authored Jan 27, 2014

Tabulated function parameters are hardcoded in the kernel instead of being stored in an array.  This makes the code simpler and may help performance slightly.

0a1a011d

25 Jan, 2014 1 commit
- Created Discrete2DFunction and Discrete3DFunction · a773952e
  peastman authored Jan 24, 2014
  
  a773952e
24 Jan, 2014 2 commits
- Created Discrete1DFunction · 56e36449
  peastman authored Jan 24, 2014
  
  56e36449
- Converted CUDA and OpenCL platforms to process tabulated functions with the TabulatedFunction API · 81f26683
  peastman authored Jan 23, 2014
  
  81f26683
17 Oct, 2012 1 commit
- Continuing to implement double precision in OpenCL · c8dac206
  Peter Eastman authored Oct 17, 2012
  
  c8dac206
07 May, 2012 1 commit
- Implemented delta() for custom expressions · 94a31b8d
  Peter Eastman authored May 07, 2012
  
  94a31b8d
09 Jan, 2012 1 commit
- Continuing to implement OpenCL CustomIntegrator: added position constraints,... · 9e4cf579
  Peter Eastman authored Jan 09, 2012
```
Continuing to implement OpenCL CustomIntegrator: added position constraints, and use double precision where possible
```
  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