Skip to content

Issues: ajkerr0/kappa

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

16 Open 74 Closed
16 Open 74 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Major rework of forcefields needed
#110 opened May 22, 2018 by ajkerr0
Should be able to remove zero modes more easily
#109 opened Mar 5, 2018 by ajkerr0
Redundant build code in molecule.py
#108 opened Feb 19, 2018 by ajkerr0
Consider a different recursive algorithm to accumulate the desired number of valence states in bond type assignment
#107 opened Jan 18, 2018 by ajkerr0
Dihedral ff parameters do not get assigned as intended in some molecules
#98 opened Feb 18, 2017 by ajkerr0
Missing special consideration of special chemical groups in parameter assignment
#90 opened Oct 20, 2016 by ajkerr0
3
Missing consideration of improper torsionals in energy calculations
#86 opened Oct 11, 2016 by ajkerr0
Forcefield object is not needed in Molecule instantiation
#82 opened Sep 20, 2016 by ajkerr0
1
Missing total vectorization of the thermal conductivity calculation priority:low
#73 opened Sep 3, 2016 by ajkerr0
6
Missing bond type consideration in atom type perception
#72 opened Aug 30, 2016 by ajkerr0
1
Consider putting antechamber code in self-contained package
#69 opened Aug 29, 2016 by ajkerr0
Missing handling of zero-modes
#64 opened Aug 15, 2016 by ajkerr0
3
Missing electric charge parameterization
#60 opened Aug 9, 2016 by ajkerr0
Missing possible molecule 'welding' function
#59 opened Aug 9, 2016 by ajkerr0
Missing line search via Brent's Method enhancement
#52 opened Aug 1, 2016 by ajkerr0
5
New name for package/repo
#4 opened May 26, 2016 by ajkerr0
ProTip! Find all open issues with in progress development work with linked:pr.