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Commits
: Listings
Analyzed
12 months
ago. based on code collected
12 months
ago.
Jan 16, 2023 — Jan 16, 2024
Showing page 2 of 4
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Code Location
Date
Make TestCudaATMForce an actual test by renaming to .cpp (#4267)
Anton Gorenko
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about 1 year ago
Note that w_cross has units of inverse distance (#4263)
Matt Thompson
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about 1 year ago
Added chapter on add-on packages to manual (#4255)
Peter Eastman
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over 1 year ago
Updated version number to 8.1 (#4250)
Peter Eastman
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over 1 year ago
Remove support for Gromacs implicit solvent (#4246)
Peter Eastman
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over 1 year ago
Fixed error in accumulating parameter derivatives (#4249)
Peter Eastman
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over 1 year ago
Replace distutils with setuptools (#4245)
Peter Eastman
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over 1 year ago
Report status during minimization (#4207)
Peter Eastman
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over 1 year ago
CustomCPPForceImpl for writing forces in C++ (#4231)
Peter Eastman
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over 1 year ago
Don't add extra bond between water hydrogens (#4219)
Peter Eastman
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over 1 year ago
Allow negative surface tension (#4223)
Peter Eastman
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over 1 year ago
Added residueTemplates argument to more methods (#4211)
Peter Eastman
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over 1 year ago
Remove std::binary_function from ConstraintOrderer functor (#4217)
Hugo MacDermott-Opeskin
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over 1 year ago
Flush queue less frequently (#4177)
Peter Eastman
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over 1 year ago
Update IntegrationUtilities.cpp to include <functional> (#4214)
Hugo MacDermott-Opeskin
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over 1 year ago
Remove amber20-factorix (#4208)
bdenhollander
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over 1 year ago
Fixed bug in CustomIntegrator detecting changes to context parameters (#4206)
Peter Eastman
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over 1 year ago
Add link to cookbook and tutorials in docs sidepane (#4075)
Stephen Farr
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over 1 year ago
Avoid deprecation warnings in vkFFT (#4192)
Peter Eastman
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over 1 year ago
Amoeba and ATM Force minor cleanup (#4195)
bdenhollander
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over 1 year ago
Optimized Context creation with complex CustomIntegrators (#4191)
Peter Eastman
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over 1 year ago
Fix CI failure (#4190)
Peter Eastman
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over 1 year ago
GromacsTopFile supports [ settles ] directive (#4188)
Peter Eastman
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over 1 year ago
Fixed memory error in AMOEBA PME (#4181)
Peter Eastman
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over 1 year ago
Support GROMACS files that use GROMOS force fields (#4028)
Peter Eastman
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over 1 year ago
Update README.md (#4170)
jempabroni
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over 1 year ago
Fix "off by one" error in xtc time reporting. (#4168)
Raul
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over 1 year ago
Draft integration of the Alchemical Transfer Method (ATM) plugin (#4110)
Emilio Gallicchio
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over 1 year ago
writeFile() accepts a filename instead of a file object (#4162)
Peter Eastman
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over 1 year ago
Fix for patches that affect only bonds, not atoms (#4161)
Peter Eastman
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over 1 year ago
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