Commits · e9534c15e82e688a7e7868d2c1e10b33aeb3d556 · tsoc / openmm

22 Jun, 2022 1 commit
- add missing header and fix logic for including cmath (#3658) · e9534c15
  Mike Henry authored Jun 22, 2022
  
  e9534c15
10 Jun, 2022 1 commit
- Prevent Windows from defining macros that interfere with other code (#3637) · 55ae9d7f
  Mike Henry authored Jun 10, 2022
```
* add fix to Prevent Windows from defining macros that interfere with other code

* add fix to the tippy top of the file
```
  55ae9d7f
17 Apr, 2022 1 commit

Vectorize nonbonded interactions with no cutoff (#3575) · db4cefd4

Peter Eastman authored Apr 17, 2022

* Vectorize NonbondedForce with no cutoff

* Vectorize CustomNonbondedForce with no cutoff

* Memory efficient dense neighbor list

* Fixed errors

db4cefd4

24 Jun, 2020 1 commit
- Periodic 2D and 3D continuous functions in Reference platform · 1f754f1f
  Charlles Abreu authored Jun 23, 2020
  
  1f754f1f
05 Apr, 2020 1 commit
- Continuous1DFunction evaluation with periodic=true · 50bb275a
  Charlles Abreu authored Apr 05, 2020
  
  50bb275a
31 Mar, 2020 1 commit
- Direct value return in Continuous1DFunction.getPeriodic · a39e5bee
  Charlles Abreu authored Mar 31, 2020
  
  a39e5bee
28 Mar, 2020 3 commits
- Continuous1DFunction with setPeriodic and getPeriodic methods · 8097a594
  Charlles Abreu authored Mar 28, 2020
  
  8097a594
- Elimination of ContinuousPeriodic1DFunction class · fbfc55a5
  Charlles Abreu authored Mar 28, 2020
  
  fbfc55a5
- Periodic 1D tabulated function via optional argument · eacb6882
  Charlles Abreu authored Mar 28, 2020
  
  eacb6882
25 Mar, 2020 1 commit
- Implementation of ContinuousPeriodic1DFunction: Reference platform · ce7da176
  Charlles Abreu authored Mar 25, 2020
  
  ce7da176
19 Nov, 2019 1 commit
- Optimized processing of expressions with tabulated functions · 5eb439d8
  peastman authored Nov 19, 2019
  
  5eb439d8
18 Apr, 2016 1 commit
- Optimized reference implementation of continuous tabulated functions · fc0689ac
  peastman authored Apr 18, 2016
  
  fc0689ac
28 Apr, 2014 1 commit
- change back to #ifdef · 8e3c539a
  smikes authored Apr 28, 2014
  
  8e3c539a
27 Apr, 2014 1 commit
- MSVC 2013 defines conformant round(), workaround not needed · aa6f6bd7
  Sam Mikes authored Apr 27, 2014
  
  aa6f6bd7
18 Mar, 2014 1 commit
- Fixed compilation errors on Windows, plus an error in a test case · e8718a1f
  Peter Eastman authored Mar 18, 2014
  
  e8718a1f
01 Mar, 2014 1 commit
- Another attempt at dealing with the fact that some compilers define round() and others don't · dd63128f
  peastman authored Mar 01, 2014
  
  dd63128f
28 Feb, 2014 1 commit
- Fixed compilation errors on Windows · 8381aaa8
  peastman authored Feb 28, 2014
  
  8381aaa8
30 Jan, 2014 1 commit
- Created reference implementation of Continuous3DFunction · c9c218ac
  peastman authored Jan 30, 2014
  
  c9c218ac
29 Jan, 2014 1 commit
- Created reference implementation of Continuous2DFunction · 4cfeb429
  peastman authored Jan 28, 2014
  
  4cfeb429
25 Jan, 2014 1 commit
- Created Discrete2DFunction and Discrete3DFunction · a773952e
  peastman authored Jan 24, 2014
  
  a773952e
24 Jan, 2014 1 commit
- Created Discrete1DFunction · 56e36449
  peastman authored Jan 24, 2014
  
  56e36449
23 Jan, 2014 2 commits
- Converted reference platform to process tabulated functions with the TabulatedFunction API · 98640b63
  peastman authored Jan 23, 2014
  
  98640b63
- Created new API for tabulated functions · dabc225e
  peastman authored Jan 23, 2014
  
  dabc225e
31 May, 2012 1 commit
- Implemented updateParametersInContext() for NonbondedForce · 59b0c5fa
  Peter Eastman authored May 31, 2012
  
  59b0c5fa
14 Feb, 2012 1 commit
- Created architecture for multiple time step integrators and completed reference implementation · 8ecf9e35
  Peter Eastman authored Feb 14, 2012
  
  8ecf9e35
21 Apr, 2009 1 commit
- Moved header files into an openmm subdirectory · 644cc275
  Peter Eastman authored Apr 21, 2009
  
  644cc275
16 Oct, 2008 1 commit

Changed how kernels get initialized. StandardMMForceField now has you set the... · a138663d

Peter Eastman authored Oct 16, 2008

Changed how kernels get initialized.  StandardMMForceField now has you set the 1-4 interactions explicitly.  CMMotionRemover allows the removal frequency to be set.

a138663d

16 May, 2008 1 commit
- Implemented center of mass motion removal for OpenMM · 0b662b49
  Peter Eastman authored May 16, 2008
  
  0b662b49
19 Apr, 2008 1 commit
- Continuing to implement ReferencePlatform · 012b28e6
  Peter Eastman authored Apr 19, 2008
  
  012b28e6
16 Apr, 2008 1 commit
- Reorganization of the OpenMM source code · 0e879806
  Peter Eastman authored Apr 16, 2008
  
  0e879806