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30 Open 118 Closed
30 Open 118 Closed
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Issues list

Fix bottom of README
#266 opened May 10, 2018 by bannanc
Add code coverage
#264 opened Jan 25, 2018 by bannanc
@bannanc
2
Transition issues to openforcefield repo? minor question
#263 opened Jan 12, 2018 by bannanc
2
Pin openforcefield version
#262 opened Jan 6, 2018 by bannanc
@bannanc
1
Potential speed up for smirky by removing chemical environment tracking enhancement question
#251 opened May 9, 2017 by bannanc
@bannanc
8
Migrate to new charging engine (waiting) wontfix
#235 opened Mar 17, 2017 by davidlmobley
3
Discussing the importance of 3D structure and stereochemistry minor question
#225 opened Mar 14, 2017 by bannanc
5
Non-bonded potentials
#221 opened Mar 13, 2017 by ramess101
1
United-atom Types
#220 opened Mar 13, 2017 by ramess101
24
Remove forcefield from data package after it is made installable on other repo
#204 opened Feb 9, 2017 by davidlmobley
4
Put AMBER99SBildn into SMIRNOFF format
#192 opened Dec 15, 2016 by davidlmobley
@davidlmobley @cbayly13
Matching molecules to topology atoms results in peculiar behavior for symmetric molecules minor
#188 opened Dec 7, 2016 by davidlmobley
9
Replace HarmonicAngleForce with AngleForce (and likewise for bonds?) in SMIRFF
#179 opened Nov 3, 2016 by davidlmobley
5
Add a mol2 reporter for OpenMM
#168 opened Oct 21, 2016 by davidlmobley
1
Implement handling of partial bond orders for angles and torsions
#137 opened Sep 7, 2016 by davidlmobley
@davidlmobley
Something to watch out for when we couple smirky moves with parameter moves
#131 opened Aug 31, 2016 by davidlmobley
6
ChemicalEnvironment sampling API design choice
#110 opened Aug 9, 2016 by jchodera
@bannanc
20
Molecular fragmentation scheme for charging large molecules enhancement
#109 opened Aug 8, 2016 by jchodera
7
Requirements are not specified in setup.py
#106 opened Aug 7, 2016 by jchodera
Address detailed balance more carefully in chemical environment moves
#99 opened Aug 5, 2016 by bannanc
11
Confusing information printed about number of matches in labelMolecules method in forcefield_labeler minor
#95 opened Aug 3, 2016 by bannanc
@davidlmobley
3
Make further modifications for parameter manipulation in ForceField
#92 opened Aug 2, 2016 by davidlmobley
@davidlmobley
8
(Long-term) Make minor extensions to SMIRFF format enhancement
#67 opened Jul 20, 2016 by davidlmobley
1
Add fractional bond orders to SMIRFF enhancement
#53 opened Jul 7, 2016 by davidlmobley
@davidlmobley
18
Add visualization of parent hierarchy [low priority] enhancement
#46 opened Jul 5, 2016 by bannanc
@bannanc
7
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