Evan Pretti
05472c9a81
Update file headers ( #5074 )
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* Replace SimTK-containing file headers
* Update file headers for new Tinker reader files added
2025-09-23 10:27:26 -07:00
Peter Eastman
33c694d4fd
CustomNonbondedForce supports computed values ( #3412 )
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* Reference implementation of computed values for CustomNonbondedForce
* CPU implementation of computed values for CustomNonbondedForce
* Common implementation of computed values for CustomNonbondedForce
* Serialization of computed values
* ForceField supports computed values
2022-01-27 12:12:00 -08:00
Peter Eastman
4c6cf6806a
Added name property to Forces ( #3049 )
2021-03-10 12:13:48 -08:00
peastman
8e01339d3a
Continuing to implement derivatives with respect to parameters
2016-07-06 16:58:18 -07:00
peastman
ede48b85dc
Include force groups when serializing forces
2014-04-15 10:19:25 -07:00
peastman
7a6f4b2fb9
Cleanup to the recent serialization code changes
2014-04-14 15:21:48 -07:00
John Chodera (MSKCC)
8cd0120980
Removed code left over from debugging.
2014-04-12 14:23:33 -04:00
John Chodera (MSKCC)
f8c52d1b4b
Added serialization of more properties, as well as unit test extensions for these additions.
2014-04-12 01:38:20 -04:00
John Chodera (MSKCC)
4255709b39
Updated tests of serialization of CustomNonbondedForce, though test omits comparison of interaction group sets since I couldn't figure out how to do that.
2014-04-12 01:09:08 -04:00
peastman
75c9f3d557
Implemented serialization for TabulatedFunctions
2014-01-31 14:42:18 -08:00
Peter Eastman
9fd73edff2
Fixed compilation errors and warnings on Windows
2012-10-12 20:50:50 +00:00
Peter Eastman
a566a07487
Added index bounds checking to lots of methods
2012-01-31 00:07:41 +00:00
Peter Eastman
4e1e1b1162
Custom functions are now represented by natural splines
2010-10-11 20:06:01 +00:00
Peter Eastman
f21e516946
Fixed compilation errors on Windows
2010-10-01 18:23:48 +00:00
Peter Eastman
027fe02877
Finished initial implementation of serialization
2010-10-01 00:12:39 +00:00
