Ecosyste.ms: Issues

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GitHub / mattwthompson/ilforcefields issues and pull requests

#29 - Update the bonding parameter for TFSI

Pull Request - State: closed - Opened by XiaoboLinlin almost 2 years ago

#29 - Update the bonding parameter for TFSI

Pull Request - State: closed - Opened by XiaoboLinlin almost 2 years ago

#28 - Fix bonded params for bistriflates

Pull Request - State: closed - Opened by rmatsum836 over 3 years ago

#27 - Add parameters for tetraalkylammonium

Pull Request - State: open - Opened by Argon1999 almost 4 years ago

#26 - Add parameters for tetraalkylammonium

Pull Request - State: closed - Opened by Argon1999 almost 4 years ago - 1 comment

#25 - Add parameters for tetraalkylammonium

Pull Request - State: open - Opened by rmatsum836 almost 4 years ago - 2 comments

#24 - Add additional parameters for TAM cations

Pull Request - State: closed - Opened by rmatsum836 over 4 years ago - 1 comment

#23 - Dataframe of Ionic Liquid Simulations

Issue - State: open - Opened by rmatsum836 over 4 years ago

#22 - Revert "Flourine"

Pull Request - State: closed - Opened by mattwthompson over 4 years ago

#21 - Flourine

Pull Request - State: closed - Opened by Argon1999 over 4 years ago

#20 - Add fluorinated Lopes Parameters

Pull Request - State: closed - Opened by rmatsum836 over 4 years ago

#19 - Add initial sulfonate paramters

Pull Request - State: closed - Opened by rmatsum836 over 4 years ago - 4 comments
Labels: WIP

#18 - Establish entrypoints for foyer interaction

Pull Request - State: closed - Opened by mattwthompson about 5 years ago - 1 comment

#17 - Mixing Rules

Issue - State: open - Opened by rmatsum836 about 5 years ago - 1 comment

#16 - Padua's polarizable FF

Issue - State: open - Opened by mattwthompson about 5 years ago

#15 - Journal

Issue - State: open - Opened by mattwthompson about 5 years ago

#14 - Roadmap to publication

Issue - State: open - Opened by mattwthompson about 5 years ago

#13 - Changes done to the proper and improper torsions

Pull Request - State: open - Opened by andresordorica over 5 years ago - 2 comments

#12 - Add coarse grain (cg ) and united atoms (ua) files

Pull Request - State: open - Opened by andresordorica over 5 years ago

#11 - Add fsi

Pull Request - State: closed - Opened by rmatsum836 about 6 years ago - 6 comments

#10 - Refresh tests

Pull Request - State: closed - Opened by mattwthompson about 6 years ago

#9 - Apple&P Support

Issue - State: open - Opened by mattwthompson over 6 years ago

#8 - Add pyrrolidinium and pyridinium parameters

Pull Request - State: closed - Opened by mattwthompson almost 7 years ago - 2 comments

#7 - Add pyrrolidinium and pyridinium parameters

Pull Request - State: closed - Opened by mattwthompson almost 7 years ago - 1 comment

#6 - Cleanup tests

Pull Request - State: closed - Opened by mattwthompson almost 7 years ago - 2 comments

#5 - Tests

Issue - State: open - Opened by mattwthompson about 7 years ago - 1 comment

#4 - Update terms with correction issued in DOI: 10.1021/jp0476996

Pull Request - State: closed - Opened by mattwthompson over 7 years ago

#3 - Add Lopes atomtypes for bf4

Pull Request - State: closed - Opened by mattwthompson over 7 years ago

#2 - Update terms with published correction

Issue - State: closed - Opened by mattwthompson over 7 years ago

#1 - Something is off with lopes.xml

Issue - State: closed - Opened by mattwthompson over 7 years ago - 2 comments