Ecosyste.ms: Issues

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GitHub / steabert/molpy issues and pull requests

#16 - Molden file generated from a H5 file

Issue - State: open - Opened by ethan0879 almost 5 years ago - 1 comment

#15 - Cartesian basis functions

Issue - State: open - Opened by Jellby about 7 years ago

#14 - Problem with RasOrb file

Issue - State: open - Opened by ghost over 7 years ago

#13 - Interface to WFA Molcas

Pull Request - State: closed - Opened by felixplasser almost 8 years ago - 1 comment

#12 - SyntaxError in penny

Issue - State: closed - Opened by Jellby over 8 years ago - 5 comments
Labels: wontfix

#11 - move AO overlap/fockint to basis set class

Issue - State: closed - Opened by steabert almost 9 years ago
Labels: enhancement

#10 - g functions in molden format

Issue - State: closed - Opened by Jellby almost 9 years ago - 1 comment
Labels: bug

#9 - Molden files with UHF alpha+beta orbitals do not get read correctly

Issue - State: closed - Opened by steabert almost 9 years ago
Labels: bug

#8 - Primitives with zero exponent

Issue - State: closed - Opened by felixplasser almost 9 years ago - 1 comment
Labels: enhancement

#7 - Molden conversion with symmetry

Issue - State: closed - Opened by felixplasser almost 9 years ago - 2 comments
Labels: bug

#6 - [Molden Format]

Issue - State: closed - Opened by felixplasser almost 9 years ago - 1 comment
Labels: bug

#5 - Error with Molden file

Issue - State: closed - Opened by felixplasser almost 9 years ago
Labels: bug

#4 - Spin densities?

Issue - State: closed - Opened by Jellby about 9 years ago - 1 comment
Labels: enhancement

#3 - Shebang line

Issue - State: closed - Opened by Jellby about 9 years ago

#2 - libmsym integration

Pull Request - State: closed - Opened by mcodev31 about 9 years ago

#1 - Feature request: reorder atoms

Issue - State: open - Opened by Jellby about 9 years ago - 13 comments
Labels: enhancement