Commits · 4094773569b056d27ffe9efb8f71f7a84df37689 · tsoc / openmm

24 Sep, 2015 1 commit
- Added default values for some arguments · 1d5c7417
  Peter Eastman authored Sep 24, 2015
  
  1d5c7417
23 Sep, 2015 3 commits
- Added error checking for illegal variable names · 213fbc03
  Peter Eastman authored Sep 23, 2015
  
  213fbc03
- Finished refactoring test cases · 8b5d3dc0
  Peter Eastman authored Sep 23, 2015
  
  8b5d3dc0
- Continuing to refactor tests · 2f553a66
  Peter Eastman authored Sep 23, 2015
  
  2f553a66
22 Sep, 2015 2 commits
- Continuing to refactor tests · 4ed151e1
  Peter Eastman authored Sep 22, 2015
  
  4ed151e1
- Continuing to refactor tests · ccd811da
  Peter Eastman authored Sep 22, 2015
  
  ccd811da
21 Sep, 2015 1 commit
- Began refactoring of tests to eliminate duplicated code · a5a52dd1
  Peter Eastman authored Sep 21, 2015
  
  a5a52dd1
27 Aug, 2015 1 commit
- Python 2/3 compatibility in single code base, plus python 3 testing on travis. · b7088b74
  peastman authored Aug 10, 2015
  
  b7088b74
12 Aug, 2015 1 commit
- Show fewer warnings on Visual Studio · 7509c2bf
  Peter Eastman authored Aug 12, 2015
  
  7509c2bf
07 Jul, 2015 2 commits
- Remove comments · d29f6b50
  Robert McGibbon authored Jul 07, 2015
  
  d29f6b50
- Implement tests for the AVX wrappers, TestVectorize8 · 090e2ae1
  Robert McGibbon authored Jul 07, 2015
  
  090e2ae1
06 May, 2015 1 commit
- Implemented select() in custom expressions · 2b7bbdb0
  peastman authored May 06, 2015
  
  2b7bbdb0
13 Apr, 2015 1 commit
- Added a test for rsqrt() · 5e1f7d39
  peastman authored Apr 13, 2015
  
  5e1f7d39
20 Feb, 2015 1 commit
- Added removeForce() and removeConstraint() to System · 65d0449e
  peastman authored Feb 20, 2015
  
  65d0449e
13 Feb, 2015 1 commit
- Tests for floor() and ceil(). · e0713aeb
  peastman authored Feb 13, 2015
  
  e0713aeb
16 Sep, 2014 1 commit
- Added more optimized operations to JIT compilation · 4a25dc79
  peastman authored Sep 16, 2014
  
  4a25dc79
15 Aug, 2014 1 commit
- Finished CPU implementation of CustomManyParticleForce · 14d3c584
  peastman authored Aug 15, 2014
  
  14d3c584
01 Aug, 2014 1 commit
- Fixed compilation error on some compilers · d85f7998
  peastman authored Aug 01, 2014
  
  d85f7998
24 Jul, 2014 2 commits
- Modified test case to work on ARM · 074e3cd9
  peastman authored Jul 24, 2014
  
  074e3cd9
- Created PNaCl implementation of vector instructions (not yet optimized!) · 43b669e9
  peastman authored Jul 24, 2014
  
  43b669e9
23 Jul, 2014 1 commit
- Preliminary support for Chrome portable native client · 35041ae1
  peastman authored Jul 23, 2014
  
  35041ae1
10 Jun, 2014 1 commit
- Created CustomNonbondedForce::createExclusionsFromBonds() · 54f10a3c
  peastman authored Jun 10, 2014
  
  54f10a3c
30 Jan, 2014 1 commit
- Added 3D spline functions to SplineFitter · 9d3636f4
  peastman authored Jan 30, 2014
  
  9d3636f4
29 Jan, 2014 1 commit
- Created reference implementation of Continuous2DFunction · 4cfeb429
  peastman authored Jan 28, 2014
  
  4cfeb429
28 Jan, 2014 1 commit
- Added 2D spline functions to SplineFitter · 5b0e8f29
  peastman authored Jan 28, 2014
  
  5b0e8f29
05 Dec, 2013 1 commit
- More fixes for problems on OS X 10.9 · 2cd817b4
  peastman authored Dec 04, 2013
  
  2cd817b4
16 Oct, 2013 1 commit
- Lots of optimizations to Lepton, including creating CompiledExpression class. · 8b3bfc92
  peastman authored Oct 16, 2013
  
  8b3bfc92
01 Aug, 2013 1 commit

Converted the routine for identifying molecules from a recursion to a loop. ... · b2d5520d

peastman authored Aug 01, 2013

Converted the routine for identifying molecules from a recursion to a loop.  This avoids stack overflows with very long linear molecules.

b2d5520d

03 Jul, 2013 1 commit
- Expression parser tolerates a + in front of an exponent · c698141a
  peastman authored Jul 03, 2013
  
  c698141a
07 May, 2012 1 commit
- Implemented delta() for custom expressions · 94a31b8d
  Peter Eastman authored May 07, 2012
  
  94a31b8d
31 Jan, 2012 1 commit
- Added index bounds checking to lots of methods · a566a074
  Peter Eastman authored Jan 31, 2012
  
  a566a074
19 Sep, 2011 1 commit
- Minor optimizations to custom forces · 84f5e008
  Peter Eastman authored Sep 19, 2011
  
  84f5e008
16 Jul, 2010 1 commit
- Debug new spline code on Windows · 7b8089d3
  Christopher Bruns authored Jul 16, 2010
  
  7b8089d3
15 Jul, 2010 1 commit
- Created SplineFitter · 629a9631
  Peter Eastman authored Jul 15, 2010
  
  629a9631
13 Jul, 2010 1 commit
- LocalEnergyMinimizer works with constraints. Also added Context::applyConstraints(). · 56f05a6c
  Peter Eastman authored Jul 13, 2010
  
  56f05a6c
09 Jul, 2010 1 commit
- Created LocalEnergyMinimizer · 4b061bed
  Peter Eastman authored Jul 09, 2010
  
  4b061bed
20 Apr, 2010 1 commit
- Started making some improvements to installer behavior. · 86fc3001
  Christopher Bruns authored Apr 20, 2010
```
Including installing Test<Platform>HarmonicBondForce tests.
```
  86fc3001
16 Apr, 2010 1 commit
- min(), max(), and abs() can appear in expressions · a5e272e2
  Peter Eastman authored Apr 16, 2010
  
  a5e272e2
09 Mar, 2010 1 commit

Changed std::fabs to std::abs in AssertionUtilities.h to avoid compile... · ef7ce026

Christopher Bruns authored Mar 09, 2010

Changed std::fabs to std::abs in AssertionUtilities.h to avoid compile ambiguity error on Windows with TestReferenceCustomHbondForce

ef7ce026

11 Feb, 2010 1 commit
- Test cases which may occasionally fail say so in the error message. · 16ea7c75
  Peter Eastman authored Feb 11, 2010
  
  16ea7c75