Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / bjmorgan/vasppy issues and pull requests

#28 - Calculated RDF value goes down to 0 after half distance of lattice constant?

Issue - State: closed - Opened by Potioner about 1 year ago - 1 comment

#26 - Tutorials need updating for pymatgen refactoring

Issue - State: closed - Opened by user200000 over 1 year ago

#25 - Convergence Testing

Pull Request - State: closed - Opened by PatrickJTaylor over 1 year ago - 2 comments

#24 - Account for meta-GGA functionals

Pull Request - State: closed - Opened by PatrickJTaylor over 3 years ago - 2 comments

#23 - `Doscar` does not handle ISPIN = 1 calculations correctly.

Issue - State: closed - Opened by alexsquires over 3 years ago - 9 comments
Labels: bug

#22 - Cage correlation

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

#21 - Correct string comparisons

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

#20 - string comparisons in species_from_strings

Issue - State: closed - Opened by cajfisher over 3 years ago - 6 comments

#19 - Cage correlation

Pull Request - State: closed - Opened by bjmorgan almost 4 years ago

#18 - Implemented basic Vasprun class

Pull Request - State: closed - Opened by bjmorgan about 4 years ago

#16 - Add generic `varray` xml parser to `vasprun.py`.

Issue - State: closed - Opened by bjmorgan about 4 years ago

#15 - potcar_spec should return a pair of lists, not a dictionary

Issue - State: open - Opened by bjmorgan about 4 years ago
Labels: enhancement

#14 - Doscar class doesn’t handle simple DOSCAR outputs well

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

#13 - Can you give me an example of doscar?

Issue - State: closed - Opened by Wangpaipai over 4 years ago - 8 comments

#12 - Add example XDATCAR to rdf workflow

Issue - State: closed - Opened by bjmorgan almost 5 years ago - 1 comment

#11 - procar.py suggestion

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

#10 - Can you provide some examples or scripts on how to use vasppy?

Issue - State: open - Opened by obaica over 5 years ago - 5 comments

#9 - Update outcar.py

Pull Request - State: closed - Opened by LMMorgan over 5 years ago

#8 - Non-orthogonal cell fix for pimaim conversion

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

#7 - allow the parse of negative occupancy by revising the pattern

Pull Request - State: closed - Opened by yw-fang over 6 years ago - 3 comments

#6 - self.occupancy initialised within Procar __init__

Pull Request - State: closed - Opened by lucydot over 6 years ago

#5 - Include occupancy parser

Pull Request - State: closed - Opened by lucydot about 7 years ago - 1 comment

#4 - Add documentation

Issue - State: closed - Opened by alejandrogallo about 7 years ago - 3 comments

#3 - problem to run

Issue - State: closed - Opened by SUN123RAY over 8 years ago - 33 comments

#2 - How to run

Issue - State: closed - Opened by aamirshafique almost 9 years ago - 11 comments

#1 - First pull request

Pull Request - State: closed - Opened by lucydot over 9 years ago