Evan Pretti
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05472c9a81
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Update file headers (#5074)
* Replace SimTK-containing file headers
* Update file headers for new Tinker reader files added
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2025-09-23 10:27:26 -07:00 |
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Peter Eastman
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4ed151e126
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Continuing to refactor tests
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2015-09-22 15:16:45 -07:00 |
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peastman
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f66c9b6184
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Simplification to reference platform tests
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2015-03-19 13:41:06 -07:00 |
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peastman
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300758a54e
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Platform specific header files get installed. This allows plugins to be built with just an OpenMM installation, not a full source tree.
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2013-07-08 16:34:35 -07:00 |
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Peter Eastman
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a566a07487
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Added index bounds checking to lots of methods
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2012-01-31 00:07:41 +00:00 |
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Peter Eastman
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b06fc4a7a4
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Moved SFMT into libraries folder, and restructured it to allow multiple independent random number generators
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2010-05-10 20:39:57 +00:00 |
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Peter Eastman
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a402046652
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Renamed OpenMMContext to Context
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2009-07-14 21:46:06 +00:00 |
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Peter Eastman
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644cc275ab
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Moved header files into an openmm subdirectory
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2009-04-21 20:52:40 +00:00 |
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Peter Eastman
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64493da664
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Modified the API for lots of classes so that the number of particles/bonds/etc. need not be specified in the constructor.
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2009-04-17 23:19:00 +00:00 |
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Peter Eastman
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29e3fa5762
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Redesigned the API for specifying exclusions and 1-4 interactions.
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2009-04-17 20:42:25 +00:00 |
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Peter Eastman
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62c4fd533a
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Renamed "atoms" to "particles"
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2008-10-22 22:07:53 +00:00 |
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Peter Eastman
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ad75a39079
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Split StandardMMForceField into separate classes for each force term.
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2008-10-22 21:31:24 +00:00 |
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Peter Eastman
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a138663d61
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Changed how kernels get initialized. StandardMMForceField now has you set the 1-4 interactions explicitly. CMMotionRemover allows the removal frequency to be set.
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2008-10-16 23:35:29 +00:00 |
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Peter Eastman
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0b662b4991
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Implemented center of mass motion removal for OpenMM
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2008-05-16 18:07:48 +00:00 |
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