Commits · bcc6216dd062d374c4793e5a71f97d5696e80a47 · tsoc / openmm

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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
19 Apr, 2010 1 commit
- Added parenthesis workaround for using std::min/max on Windows, to prevent compile error. · ae36b287
  Christopher Bruns authored Apr 19, 2010
  
  ae36b287
16 Apr, 2010 1 commit
- min(), max(), and abs() can appear in expressions · a5e272e2
  Peter Eastman authored Apr 16, 2010
  
  a5e272e2
10 Feb, 2010 1 commit
- Added support for exporting validation methods for Window's builds · d88141d5
  Mark Friedrichs authored Feb 10, 2010
  
  d88141d5
21 Jan, 2010 1 commit

Added #include <cstdlib> to header files so would work with gcc 4.4.2. Also... · 3a38084c

Randall Radmer authored Jan 21, 2010

Added #include <cstdlib> to header files so would work with gcc 4.4.2.  Also changed includes of stdlib.h and string.h to cstdlib.h and cstring.h

3a38084c

13 Jan, 2010 1 commit
- Rename Obc force to be consistent w/ manual name · 1980f05f
  Mark Friedrichs authored Jan 13, 2010
  
  1980f05f
05 Jan, 2010 1 commit
- erf() and erfc() can appear in expressions · 5c24a611
  Peter Eastman authored Jan 05, 2010
  
  5c24a611
10 Dec, 2009 1 commit
- Optimizations to expression processing in CustomGBForce · 803b8678
  Peter Eastman authored Dec 10, 2009
  
  803b8678
05 Dec, 2009 1 commit
- Bug fix · 7ded64ba
  Peter Eastman authored Dec 05, 2009
  
  7ded64ba
02 Dec, 2009 1 commit
- Removed exit() in ValidateOpenMM::writeParameterFile · 60c8ebf9
  Mark Friedrichs authored Dec 02, 2009
```
Changed format from %u to %zu for size_t entries
```
  60c8ebf9
01 Dec, 2009 1 commit
- Fixed a compilation error under Linux · f46ebafb
  Peter Eastman authored Dec 01, 2009
  
  f46ebafb
27 Nov, 2009 1 commit
- Removed routines to copy forces: Peter pointed out a shallow copy using copy... · 959869fe
  Mark Friedrichs authored Nov 27, 2009
```
Removed routines to copy forces: Peter pointed out a shallow copy using copy constructors is sufficient
```
  959869fe
25 Nov, 2009 1 commit
- Fixed compilation errors · 6e543d20
  Peter Eastman authored Nov 25, 2009
  
  6e543d20
24 Nov, 2009 1 commit
- Added some optimizations · bdc71cd4
  Peter Eastman authored Nov 24, 2009
  
  bdc71cd4
23 Nov, 2009 3 commits
- Mods to get validation code to compile on windows · 4112ece5
  Mark Friedrichs authored Nov 23, 2009
  
  4112ece5
- Library to check that forces agree across platforms · 248a01f4
  Mark Friedrichs authored Nov 23, 2009
  
  248a01f4
- Added some optimizations · 4cbb82d4
  Peter Eastman authored Nov 23, 2009
  
  4cbb82d4
20 Nov, 2009 1 commit
- Improved display of expressions when printing them to a stream · c0ad3f03
  Peter Eastman authored Nov 20, 2009
  
  c0ad3f03
19 Nov, 2009 2 commits
- Fixed a memory leak · c3ba6917
  Peter Eastman authored Nov 19, 2009
  
  c3ba6917
- Implemented step function in custom expressions · 2f81944d
  Peter Eastman authored Nov 19, 2009
  
  2f81944d
11 Nov, 2009 1 commit
- Added support for subexpressions · e1a7bc3d
  Peter Eastman authored Nov 11, 2009
  
  e1a7bc3d
03 Nov, 2009 1 commit
- Added support for sinh(), cosh(), and tanh() functions. · 43ebedfb
  Peter Eastman authored Nov 03, 2009
  
  43ebedfb
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 2 commits
- Fixed a compilation error under Windows · 3d2b90ba
  Peter Eastman authored Oct 30, 2009
  
  3d2b90ba
- Added an optimization · df51e651
  Peter Eastman authored Oct 30, 2009
  
  df51e651
21 Aug, 2009 1 commit
- Implemented tabulated functions in CUDA platform · 73c0da63
  Peter Eastman authored Aug 21, 2009
  
  73c0da63
18 Aug, 2009 1 commit
- Fixed errors and warnings under Windows · a1752463
  Peter Eastman authored Aug 18, 2009
  
  a1752463
12 Aug, 2009 1 commit
- Lots of new optimizations in ParsedExpression.optimize(). Also optimized CUDA... · e5c065df
  Peter Eastman authored Aug 12, 2009
```
Lots of new optimizations in ParsedExpression.optimize().  Also optimized CUDA evaluation of expressions.
```
  e5c065df
06 Aug, 2009 1 commit
- Added one optimization, plus fixed a bug. · 2d8e6684
  Peter Eastman authored Aug 06, 2009
  
  2d8e6684
03 Aug, 2009 1 commit
- Fixed a parsing bug · 3ea53872
  Peter Eastman authored Aug 03, 2009
  
  3ea53872
29 Jul, 2009 1 commit
- Created CustomNonbondedForce, including reference implementation. · a63645c0
  Peter Eastman authored Jul 29, 2009
  
  a63645c0
28 Jul, 2009 1 commit
- Reorganized headers for Lepton. · e72fc103
  Peter Eastman authored Jul 28, 2009
  
  e72fc103
27 Jul, 2009 1 commit
- Change to hopefully fix compilation error · 09b70ba2
  Peter Eastman authored Jul 27, 2009
  
  09b70ba2
25 Jul, 2009 1 commit
- Implemented more optimizations · 95fa837c
  Peter Eastman authored Jul 25, 2009
  
  95fa837c
24 Jul, 2009 2 commits
- Implemented custom function · 119fb95d
  Peter Eastman authored Jul 24, 2009
  
  119fb95d
- Implemented ExpressionProgram · e1eb4356
  Peter Eastman authored Jul 24, 2009
  
  e1eb4356
23 Jul, 2009 3 commits
- Implemented differentiation. Also added lots more optimizations. · 4aabb908
  Peter Eastman authored Jul 23, 2009
  
  4aabb908
- Implemented ParsedExpression::optimize(). Also added lots of comments. · b34864fb
  Peter Eastman authored Jul 23, 2009
  
  b34864fb
- Creating expression parsing library for use in custom forces · 259cb45a
  Peter Eastman authored Jul 23, 2009
  
  259cb45a
10 Jun, 2009 1 commit
- Added OPENMM_EXPORT tag to quern functions -- needed for Windows · 9187b702
  Mark Friedrichs authored Jun 10, 2009
  
  9187b702