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Analyzed 12 months ago. based on code collected 12 months ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Jan 20, 2023 — Jan 20, 2024 Showing page 204 of 205 Search / Filter on:
added element names and fixed anisou output for the PDB writer	Michael J. Schnieders	More...				almost 15 years ago
created PDB writer, alternate conformations are not treated yet	Michael J. Schnieders	More...				almost 15 years ago
Turn on polarization for the dhfr test case	Michael J. Schnieders	More...				almost 15 years ago
Added support for Softcore Buffered-14-7	Michael J. Schnieders	More...				almost 15 years ago
improved the PDB filters handling of HETATM entries - note that general small molecules are	Michael J. Schnieders	More...				almost 15 years ago
Merge branch 'master' of ssh://git.kenai.com/ffx~source	Michael J. Schnieders	More...				almost 15 years ago
updated force field parsing to use the Apache Commons CompositeConfiguration	Michael J. Schnieders	More...				almost 15 years ago
Merge branch 'master' of ssh://git.kenai.com/ffx~source	Tim Fenn	More...				almost 15 years ago
initial crystal density functions	Tim Fenn	More...				almost 15 years ago
implemented the Comparator<String> interface for force field types to keep them sorted; minor edits to all the FileFilters to make them consistent; moving toward using a CompositeConfiguration to hold raw force field definitions - this requires types defined over multipole lines to include the continuation character '\' at the end of each line except the last one	Michael J. Schnieders	More...				almost 15 years ago
add crystal reflection utilities; initial x-ray refinement code; mtz input code	Tim Fenn	More...				almost 15 years ago
getAnisou returns null for atoms/altlocs if the ansiou has not be set	Michael J. Schnieders	More...				almost 15 years ago
added support for Apache commons style properties configuration; added fields and methods for storing tempFactor, ansiou and occupancy gradients within the Atom class	Michael J. Schnieders	More...				almost 15 years ago
turned off OpenCL FFTs for default unit testing since most platforms will not support it.	Michael J. Schnieders	More...				about 15 years ago
updated the thermostats to remove linear and angular momemta	Michael J. Schnieders	More...				about 15 years ago
fixed the AtomTest class	Michael J. Schnieders	More...				about 15 years ago
added an OpenCL based convolution routine, created the Utilities module, updated the Atom class to store alternate conformers, added the Berendsen and Bussi thermostats	Michael J. Schnieders	More...				about 15 years ago
deleted the params directory	Michael J. Schnieders	More...				about 15 years ago
fix ffx startup script	Tim Fenn	More...				about 15 years ago
update 32 bit jogl libraries	Tim Fenn	More...				about 15 years ago
Another fix to PotentialEnergyTest	Michael J. Schnieders	More...				about 15 years ago
propogated Tim's start up script fixes to the macosx and windows versions	Michael J. Schnieders	More...				about 15 years ago
configured macosx jogl directory to match linux; fixed ForceField parameter parsing to find their new location within ffx-all.jar	Michael J. Schnieders	More...				about 15 years ago
Merge branch 'master' of ssh://git.kenai.com/ffx~source	Michael J. Schnieders	More...				about 15 years ago
updated gitignore	Michael J. Schnieders	More...				about 15 years ago
updates for 32 vs 64 bit builds	Tim Fenn	More...				about 15 years ago
fixed the jnlp files to use the -Dj3d.rend=jogl flag	Michael J. Schnieders	More...				about 15 years ago
deleted parsers module (parser were added to the potential module)	Michael J. Schnieders	More...				about 15 years ago
added AMOEBA 2004 and AMOEBA 2009 with validation	Michael J. Schnieders	More...				about 15 years ago
trying to delete references to the lib directory	Michael J. Schnieders	More...				about 15 years ago

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