Ecosyste.ms: Issues

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GitHub / mcocdawc/chemcoord issues and pull requests

#32 - separate representation from data in absolute refs

Issue - State: closed - Opened by mcocdawc over 7 years ago
Labels: maintenance

#31 - Reimplement make_similar

Issue - State: closed - Opened by mcocdawc over 7 years ago - 1 comment
Labels: enhancement

#30 - Code quality too low

Issue - State: closed - Opened by mcocdawc over 7 years ago
Labels: maintenance

#29 - Implement append method for Zmat

Issue - State: closed - Opened by mcocdawc over 7 years ago - 1 comment
Labels: enhancement

#28 - write own pd.wrapper class for cartesian and zmat

Issue - State: closed - Opened by mcocdawc over 7 years ago
Labels: maintenance

#27 - CI OSX + windows testing

Issue - State: open - Opened by mcocdawc over 7 years ago
Labels: enhancement

#26 - Assert that dtype other than object is returned when slicing

Issue - State: closed - Opened by mcocdawc over 7 years ago
Labels: bug

#25 - Remove location method

Issue - State: closed - Opened by mcocdawc over 7 years ago
Labels: maintenance

#24 - Read_zmat has to insert absolute references

Issue - State: closed - Opened by mcocdawc over 7 years ago
Labels: enhancement

#23 - Update tutorial + create contribution doc

Issue - State: closed - Opened by mcocdawc over 7 years ago

#22 - writting zmatrix from pandas frame

Issue - State: closed - Opened by Balasubra over 7 years ago - 1 comment

#21 - Implement concat functions

Issue - State: closed - Opened by mcocdawc over 7 years ago - 1 comment
Labels: enhancement

#20 - Detect linearity in reference when converting zmat -> cartesian

Issue - State: closed - Opened by mcocdawc over 7 years ago - 1 comment
Labels: enhancement

#19 - More tests are needed

Issue - State: open - Opened by mcocdawc over 7 years ago
Labels: help wanted

#18 - Cartesian.give_zmat(construction_table) changes molecule's orientation

Issue - State: closed - Opened by sgill2 over 7 years ago - 8 comments
Labels: bug

#17 - Old numba version Zmat.give_cartesian() bug

Issue - State: closed - Opened by sgill2 over 7 years ago - 2 comments
Labels: bug

#16 - Correcting a few minor spelling errors

Pull Request - State: closed - Opened by pantor over 7 years ago - 1 comment

#15 - Rename construction_table columns

Issue - State: closed - Opened by mcocdawc over 7 years ago

#14 - Allow specifying first three atom positions for give_cartesian()

Issue - State: closed - Opened by sgill2 over 7 years ago - 3 comments
Labels: enhancement

#13 - Zmat.to_xyz() doc string lists incorrect return

Issue - State: closed - Opened by sgill2 almost 8 years ago - 1 comment
Labels: bug

#12 - test.py doesn't work if pythonic_index=True

Issue - State: closed - Opened by sgill2 almost 8 years ago - 1 comment
Labels: bug

#11 - Added arbitrary indexing for readers

Pull Request - State: closed - Opened by sgill2 almost 8 years ago - 1 comment

#10 - Allow arbitrary starting index when reading xyz file

Issue - State: closed - Opened by sgill2 almost 8 years ago

#9 - Can't write( xyz -> zmat) zmat file

Issue - State: closed - Opened by sgill2 almost 8 years ago

#8 - Sphinx Zmat.to_xyz() doc formatted weirdly

Issue - State: closed - Opened by sgill2 almost 8 years ago

#7 - Create show version

Issue - State: closed - Opened by mcocdawc almost 8 years ago
Labels: enhancement

#6 - read() method from Tutorial.pynb not present

Issue - State: closed - Opened by sgill2 almost 8 years ago - 4 comments
Labels: bug

#5 - Create zmat from fragment.

Issue - State: closed - Opened by mcocdawc about 8 years ago

#3 - Inconsistent Error?

Issue - State: closed - Opened by emo006 over 8 years ago - 10 comments
Labels: bug

#2 - Making python 2 compatible and conform to pep8 standard

Pull Request - State: closed - Opened by keldLundgaard over 8 years ago

#1 - delete me

Issue - State: closed - Opened by keldLundgaard almost 9 years ago - 2 comments