Ecosyste.ms: Issues

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GitHub / mfherbst/look4bas issues and pull requests

#17 - Integrate into / with new BSE

Issue - State: open - Opened by mfherbst over 5 years ago - 1 comment

#16 - Add test for pip-installing package

Issue - State: open - Opened by mfherbst over 5 years ago
Labels: enhancement

#15 - Amend setup.py to include subpackages

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

#14 - ModuleNotFoundError: No module named 'look4bas.basis_format'

Issue - State: closed - Opened by chrinide over 5 years ago - 2 comments
Labels: bug

#13 - Gaussian documentation

Issue - State: open - Opened by mfherbst over 5 years ago
Labels: enhancement

#12 - [WIP] More output formats

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

#11 - Add support for more output formats

Issue - State: closed - Opened by mfherbst over 5 years ago
Labels: enhancement

#10 - [WIP] Rudimentary Travis setup

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

#9 - Parse ECP sections

Issue - State: closed - Opened by mfherbst over 5 years ago - 1 comment
Labels: bug, enhancement

#8 - Implement explicit check for downloaded basis sets in database

Issue - State: closed - Opened by mfherbst almost 6 years ago - 1 comment
Labels: enhancement

#7 - Yet further sources of basis sets

Issue - State: open - Opened by mfherbst almost 6 years ago
Labels: enhancement

#6 - Additional helpful utilities

Issue - State: open - Opened by mfherbst almost 6 years ago
Labels: enhancement

#5 - Unit tests and code sanity checks

Issue - State: closed - Opened by mfherbst almost 6 years ago
Labels: enhancement

#4 - Improve update mechanism and add python API documentation

Pull Request - State: closed - Opened by mfherbst almost 6 years ago

#3 - Add pip support

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

#2 - Pip upload

Issue - State: closed - Opened by alejandrogallo over 6 years ago - 1 comment
Labels: enhancement

#1 - Enhance the number of supported backends (beyond EMSL)

Issue - State: closed - Opened by mfherbst about 7 years ago