Force Field X

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Analyzed about 1 year ago. based on code collected about 1 year ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Jan 20, 2023 — Jan 20, 2024 Showing page 4 of 205 Search / Filter on:
Fix 'this' escape warnings in the Crystal package	Michael J. Schnieders	More...				over 1 year ago
Fix the path used to load the OST Histogram in OSTGradient	Michael J. Schnieders	More...				over 1 year ago
Turn off testing of the entire gradient in OPLSAAEnergyTest, and instead test a random atom.	Michael J. Schnieders	More...				over 1 year ago
Use B-DNA as the Mathematica example	Michael J. Schnieders	More...				over 1 year ago
Loosen the gradient tolerance on the OPLS-AA test due to the peptide systems have large atomic gradient values for some atoms	Michael J. Schnieders	More...				over 1 year ago
Update the Mathematica worksheet to use JDK 21	Michael J. Schnieders	More...				over 1 year ago
Add instructions to the FFX website to build a Docker container and run it on your local machine	Michael J. Schnieders	More...				over 1 year ago
Force Field X now fully supports running Python v. 3.10 scripts at the command line. Examples are included in the python directoy. For example: ffxc python/Energy.py examples waterbox.xyz	Michael J. Schnieders	More...				over 1 year ago
Update Numerics for compilaton with JDK 21	Michael J. Schnieders	More...				over 1 year ago
Update the Kotlin FFX Json file to escape quotes in the init statements	Michael J. Schnieders	More...				over 1 year ago
Delete Travis CI Build, since GitHub workflow is better	Michael J. Schnieders	More...				over 1 year ago
Update the .travis.yml file	Michael J. Schnieders	More...				over 1 year ago
Update the README.md to show use of JDK 21	Michael J. Schnieders	More...				over 1 year ago
Remove the GitHub workflow for JDK 17	Michael J. Schnieders	More...				over 1 year ago
Update FFX to depend on JDK 21	Michael J. Schnieders	More...				over 1 year ago
Remove unused import from SolvatorTest.java	Michael J. Schnieders	More...				over 1 year ago
Use Apache commons-lang3 instead of commons-lang in TorsionSearch.java	Michael J. Schnieders	More...				over 1 year ago
Use the javax.annotation.Nullable annotation instead of the one from the jline package	Michael J. Schnieders	More...				over 1 year ago
Update the Kotlin ffx.json file	Michael J. Schnieders	More...				over 1 year ago
Remove ffx-all from ffx.json	Michael J. Schnieders	More...				over 1 year ago
Merge branch 'master' of github.com:SchniedersLab/forcefieldx	Michael J. Schnieders	More...				over 1 year ago
Update bin/startup.jshell to define the classpath	Michael J. Schnieders	More...				over 1 year ago
Fix JavaDoc comments in the utilities package	Michael J. Schnieders	More...				over 1 year ago
Update colab to use JDK 21	Michael J. Schnieders	More...				over 1 year ago
Update Dockerfile to use JDK 21	Michael J. Schnieders	More...				over 1 year ago
Merge branch 'master' into repex	Andrew C Thiel as acthiel212	More...				over 1 year ago
Merge branch 'repex' of https://github.com/acthiel212/forcefieldx into repex	Andrew C Thiel as acthiel212	More...				over 1 year ago
Merge pull request #18 from mattsperanza/master	Andrew C Thiel as acthiel212	More...				over 1 year ago
Check for overspinning with TSearch and make sure static tscan indicies are -1	mattsperanza	More...				over 1 year ago
Update maven-jdk21.yml	Michael J. Schnieders	More...				over 1 year ago

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