- 19 Dec, 2016 3 commits
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Andy Simmonett authored
o Only reference reciprocal space code works, for now. o Vector lengths of 4 and 8 implemented and tested. o Tests pass for Reference and CPU platforms.
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Andy Simmonett authored
o Added C12 shift term, to match GMX. o Added tests to compare energies and forces directly to GMX, with and without exclusions. o Modified set/get LJPME parameters to look similar to electrostatic equivalents.
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Andy Simmonett authored
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- 13 Dec, 2016 1 commit
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peastman authored
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- 01 Dec, 2016 1 commit
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Peter Eastman authored
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- 18 Nov, 2016 3 commits
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Andy Simmonett authored
o Only reference reciprocal space code works, for now. o Vector lengths of 4 and 8 implemented and tested. o Tests pass for Reference and CPU platforms.
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Andy Simmonett authored
o Added C12 shift term, to match GMX. o Added tests to compare energies and forces directly to GMX, with and without exclusions. o Modified set/get LJPME parameters to look similar to electrostatic equivalents.
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Andy Simmonett authored
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- 22 Sep, 2016 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 15 Aug, 2016 1 commit
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peastman authored
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- 11 Aug, 2016 1 commit
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peastman authored
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- 10 Aug, 2016 2 commits
- 09 Aug, 2016 1 commit
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peastman authored
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- 29 Jul, 2016 1 commit
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Peter Eastman authored
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- 13 Jul, 2016 1 commit
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peastman authored
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- 07 Jul, 2016 1 commit
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peastman authored
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- 06 Jul, 2016 2 commits
- 27 Jun, 2016 1 commit
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Peter Eastman authored
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- 06 May, 2016 1 commit
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peastman authored
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- 05 May, 2016 2 commits
- 03 May, 2016 2 commits
- 02 May, 2016 1 commit
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peastman authored
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- 22 Apr, 2016 1 commit
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Peter Eastman authored
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- 21 Apr, 2016 1 commit
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Peter Eastman authored
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- 12 Apr, 2016 1 commit
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Peter Eastman authored
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- 26 Feb, 2016 1 commit
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peastman authored
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- 02 Feb, 2016 1 commit
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peastman authored
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- 27 Oct, 2015 1 commit
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peastman authored
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- 01 Oct, 2015 2 commits
- 28 Sep, 2015 1 commit
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peastman authored
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- 25 Sep, 2015 1 commit
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peastman authored
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- 24 Sep, 2015 1 commit
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peastman authored
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- 23 Sep, 2015 1 commit
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Peter Eastman authored
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- 03 Sep, 2015 1 commit
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peastman authored
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