- 16 Mar, 2021 1 commit
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Peter Eastman authored
* Cleanup to CUDA AmoebaMultipoleForce * Deleted obsolete SOR code
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- 20 Aug, 2020 1 commit
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peastman authored
* Fixed range overflow with very large numbers of atoms * More fixes to overflow with large numbers of atoms * Fix test failures
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- 10 Feb, 2018 1 commit
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Michael Schnieders authored
Fixed an edge case bug for Gyrcuk Radii. If the radius (ri) of the atom being descreened is larger than sum of the separation distance (r) and scaled descreening radius (sk), then there is no descreening. This could happen for carbon atom (ri ~= 2) engulfing its bonded hydrogens (sk < 1).
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- 02 Oct, 2015 1 commit
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Peter Eastman authored
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- 12 Aug, 2014 1 commit
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peastman authored
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- 27 Jun, 2014 1 commit
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peastman authored
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- 10 Apr, 2013 1 commit
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Peter Eastman authored
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- 22 Mar, 2013 1 commit
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Peter Eastman authored
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- 14 Dec, 2012 1 commit
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Peter Eastman authored
When converting to fixed point, multiply by 0x100000000 instead of 0xFFFFFFFF. This should be (very very slightly) more accurate, since its reciprocal can be exactly represented in floating point.
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- 16 Nov, 2012 1 commit
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Peter Eastman authored
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- 01 Nov, 2012 1 commit
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Peter Eastman authored
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- 28 Sep, 2012 1 commit
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Peter Eastman authored
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- 25 Sep, 2012 1 commit
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Peter Eastman authored
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- 22 Sep, 2012 1 commit
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Peter Eastman authored
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- 20 Sep, 2012 1 commit
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Peter Eastman authored
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- 17 Sep, 2012 1 commit
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Peter Eastman authored
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- 14 Sep, 2012 1 commit
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Peter Eastman authored
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- 13 Sep, 2012 1 commit
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Peter Eastman authored
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