- 06 May, 2026 1 commit
-
-
one authored
- Use bitwise prefix accounting when storing sparse interactions as single pairs in the HIP pair-list kernel. This reduces the number of ballot operations needed to compute per-lane single-pair offsets. - For HIP CDNA single precision, raise MAX_BITS_FOR_PAIRS to 8 so more sparse interactions are emitted as single pairs instead of full tiles. Keep the existing double precision and RDNA thresholds unchanged. - Also simplify the HIP LJPME direct correction by computing alpha^2*r2
-
- 19 Mar, 2021 1 commit
-
-
Peter Eastman authored
* Converted more code to common platform * Converted more code to common platform
-
- 18 Aug, 2020 1 commit
-
-
peastman authored
* Updated to latest values for physical constants * Updated documentation on physical constants * Updated Python unit definitions * Fixed constants in test case * Added a comment
-
- 07 Jun, 2019 1 commit
-
-
Peter Eastman authored
-
- 29 May, 2018 1 commit
-
-
peastman authored
-
- 08 Feb, 2017 1 commit
-
-
Peter Eastman authored
-
- 26 Jan, 2017 1 commit
-
-
Peter Eastman authored
-
- 24 Jan, 2017 1 commit
-
-
Peter Eastman authored
-
- 19 Jan, 2017 1 commit
-
-
Andy Simmonett authored
-
- 27 Jun, 2016 1 commit
-
-
Peter Eastman authored
-
- 06 Jun, 2016 1 commit
-
-
peastman authored
-
- 09 Oct, 2014 1 commit
-
-
peastman authored
-
- 11 Sep, 2014 2 commits
- 16 Aug, 2013 1 commit
-
-
peastman authored
-
- 15 Aug, 2013 1 commit
-
-
peastman authored
-
- 08 May, 2013 1 commit
-
-
Peter Eastman authored
-
- 06 May, 2013 1 commit
-
-
Peter Eastman authored
-
- 28 Mar, 2013 1 commit
-
-
Peter Eastman authored
-
- 22 Mar, 2013 1 commit
-
-
Peter Eastman authored
-
- 28 Sep, 2012 1 commit
-
-
Peter Eastman authored
-
- 15 Jun, 2012 1 commit
-
-
Peter Eastman authored
-
- 28 Nov, 2011 1 commit
-
-
Peter Eastman authored
-
- 09 Sep, 2011 1 commit
-
-
Peter Eastman authored
-
- 02 Sep, 2011 2 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
- 23 Jul, 2010 1 commit
-
-
Peter Eastman authored
-
- 20 Jul, 2010 1 commit
-
-
Peter Eastman authored
-
- 28 Apr, 2010 2 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
- 01 Apr, 2010 1 commit
-
-
Peter Eastman authored
All platforms now handle nonbonded exceptions in a consistent way (they ignore cutoffs and periodic boundary conditions). Also started OpenCL implementation of CustomHbondForce.
-
- 11 Dec, 2009 1 commit
-
-
Peter Eastman authored
Use a consistent (and more accurate) value for electric constant everywhere. Also cleaned up handling of constants and units in various places.
-
- 03 Nov, 2009 1 commit
-
-
Peter Eastman authored
-
- 24 Oct, 2009 1 commit
-
-
Peter Eastman authored
-
- 19 Oct, 2009 1 commit
-
-
Peter Eastman authored
-
- 14 Oct, 2009 1 commit
-
-
Peter Eastman authored
-
- 06 Oct, 2009 1 commit
-
-
Peter Eastman authored
-