Ecosyste.ms: Issues

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GitHub / chrisjsewell/PyGauss issues and pull requests

#39 - Bump python-docx from 0.8.5 to 0.8.6 in /docs

Pull Request - State: open - Opened by dependabot[bot] about 2 years ago
Labels: dependencies

#38 - Bump ipython from 3.2.1 to 7.16.3

Pull Request - State: open - Opened by dependabot[bot] over 2 years ago
Labels: dependencies

#37 - Pillow --> Pil Regression

Issue - State: open - Opened by jmrd98 over 8 years ago - 2 comments

#36 - Upgrading to IPython 4.0

Issue - State: open - Opened by chrisjsewell about 9 years ago - 2 comments
Labels: bug

#35 - Latex to MathML conversion in MSDocument.add_dataframe

Issue - State: open - Opened by chrisjsewell over 9 years ago
Labels: enhancement

#34 - Multiprocessed Molecule creation over SSH

Issue - State: open - Opened by chrisjsewell over 9 years ago
Labels: enhancement

#33 - Multiprocessed Molecule creation in Windows

Issue - State: open - Opened by chrisjsewell over 9 years ago - 1 comment
Labels: enhancement

#32 - improve doc strings for MSDocument class

Issue - State: open - Opened by chrisjsewell over 9 years ago
Labels: Documentation

#31 - intermitant issues with python-docx

Issue - State: open - Opened by chrisjsewell over 9 years ago
Labels: bug

#30 - have single mission statement

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: Documentation

#29 - Natural Bonding Orbital Visualisation

Issue - State: open - Opened by chrisjsewell over 9 years ago
Labels: new feature

#28 - Densities of State analysis

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: new feature

#27 - Option to turn off perspective in images

Issue - State: open - Opened by chrisjsewell over 9 years ago
Labels: enhancement

#26 - Error updating from PIL to pillow dependacy

Issue - State: open - Opened by chrisjsewell over 9 years ago
Labels: bug

#25 - natural bonding orbitals not right

Issue - State: open - Opened by chrisjsewell over 9 years ago
Labels: bug

#24 - wrong homo lumo

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: bug

#23 - Improve wireframe view for molecules

Issue - State: open - Opened by chrisjsewell over 9 years ago - 1 comment
Labels: enhancement

#22 - some normals of isosurface incorrect

Issue - State: open - Opened by chrisjsewell over 9 years ago - 2 comments
Labels: bug

#21 - getting warnings from numba on creating isosurfaces

Issue - State: closed - Opened by chrisjsewell over 9 years ago - 1 comment
Labels: bug

#20 - Molecular Image Labelling

Issue - State: open - Opened by chrisjsewell over 9 years ago
Labels: new feature

#19 - add h20 h-bond example

Issue - State: open - Opened by chrisjsewell over 9 years ago
Labels: Documentation

#18 - analyse pi-pi bonds

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: enhancement

#17 - add row comparison option in get_optimisation_E func

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: enhancement

#16 - cropping images incorrectly

Issue - State: open - Opened by chrisjsewell over 9 years ago
Labels: bug

#15 - add formatted image table output

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: enhancement

#14 - add H-Bond analysis

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: enhancement

#13 - resize table images to maintain same font size

Issue - State: closed - Opened by chrisjsewell over 9 years ago

#12 - visualise bond orbitals

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: enhancement

#10 - apparent bug in pandas to_latex when using heirarchical row index

Issue - State: open - Opened by chrisjsewell over 9 years ago
Labels: bug

#9 - Output to Document

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: new feature

#8 - output pandas tables as images

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: enhancement

#7 - use cclib/chemview/chemlab forks instead of patches?

Issue - State: open - Opened by chrisjsewell over 9 years ago
Labels: question

#5 - add PES scan analysis

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: enhancement

#4 - add package distribution files (setup.py, ...)

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: enhancement

#3 - Add test suite

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: enhancement

#2 - fix patching of chemlab

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: bug

#1 - add calculation of plane-plane angles

Issue - State: closed - Opened by chrisjsewell over 9 years ago
Labels: enhancement