Ecosyste.ms: Issues

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GitHub / lilyminium/psiresp issues and pull requests

#52 - Fix GH templates

Pull Request - State: closed - Opened by lilyminium almost 3 years ago

#52 - Fix GH templates

Pull Request - State: closed - Opened by lilyminium almost 3 years ago

#51 - Stop Ubuntu tests hanging

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 4 comments

#50 - Add some more tests and publicize attributes

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 8 comments

#50 - Add some more tests and publicize attributes

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 8 comments

#49 - Document private attributes

Issue - State: closed - Opened by lilyminium almost 3 years ago

#49 - Document private attributes

Issue - State: closed - Opened by lilyminium almost 3 years ago

#48 - Show inherited docs

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 1 comment

#48 - Show inherited docs

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 1 comment

#47 - Documentation doesn't list all attributes

Issue - State: closed - Opened by lilyminium almost 3 years ago

#47 - Documentation doesn't list all attributes

Issue - State: closed - Opened by lilyminium almost 3 years ago

#46 - Clean tests

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 3 comments

#46 - Clean tests

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 3 comments

#45 - Clean up tests

Issue - State: closed - Opened by lilyminium almost 3 years ago

#45 - Clean up tests

Issue - State: closed - Opened by lilyminium almost 3 years ago

#44 - Add contribution page, dependencies, and references

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 1 comment

#44 - Add contribution page, dependencies, and references

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 1 comment

#42 - Add Code of Conduct

Issue - State: closed - Opened by lilyminium almost 3 years ago - 1 comment

#42 - Add Code of Conduct

Issue - State: closed - Opened by lilyminium almost 3 years ago - 1 comment

#41 - Release 0.2.1

Issue - State: closed - Opened by lilyminium almost 3 years ago - 1 comment

#40 - Sporadic hanging/dying of tests in GH Actions

Issue - State: closed - Opened by lilyminium almost 3 years ago - 1 comment

#39 - Remove psiresp.testing

Issue - State: open - Opened by lilyminium almost 3 years ago
Labels: documentation, technical

#39 - Remove psiresp.testing

Issue - State: open - Opened by lilyminium almost 3 years ago
Labels: documentation, technical

#38 - Update config

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 1 comment

#38 - Update config

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 1 comment

#37 - Fix rendering of class docstrings

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 1 comment

#37 - Fix rendering of class docstrings

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 1 comment

#36 - autodoc_pydantic is being weird

Issue - State: closed - Opened by lilyminium almost 3 years ago
Labels: documentation

#36 - autodoc_pydantic is being weird

Issue - State: closed - Opened by lilyminium almost 3 years ago
Labels: documentation

#35 - Document dependencies

Issue - State: closed - Opened by lilyminium almost 3 years ago - 1 comment
Labels: documentation

#35 - Document dependencies

Issue - State: closed - Opened by lilyminium almost 3 years ago - 1 comment
Labels: documentation

#34 - Developer docs

Issue - State: closed - Opened by lilyminium almost 3 years ago
Labels: documentation

#34 - Developer docs

Issue - State: closed - Opened by lilyminium almost 3 years ago
Labels: documentation

#33 - Support electric field fitting

Issue - State: open - Opened by lilyminium almost 3 years ago
Labels: science

#33 - Support electric field fitting

Issue - State: open - Opened by lilyminium almost 3 years ago
Labels: science

#32 - Fix references documentation

Issue - State: closed - Opened by lilyminium almost 3 years ago
Labels: documentation

#32 - Fix references documentation

Issue - State: closed - Opened by lilyminium almost 3 years ago
Labels: documentation

#31 - Add command line options

Issue - State: open - Opened by lilyminium almost 3 years ago
Labels: technical

#31 - Add command line options

Issue - State: open - Opened by lilyminium almost 3 years ago
Labels: technical

#30 - Remove redundant code

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 3 comments

#30 - Remove redundant code

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 3 comments

#29 - print errors

Pull Request - State: closed - Opened by lilyminium almost 3 years ago

#28 - Refactor to use QCStack

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 40 comments

#28 - Refactor to use QCStack

Pull Request - State: closed - Opened by lilyminium almost 3 years ago - 40 comments

#27 - Try reviewNB

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 2 comments

#27 - Try reviewNB

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 2 comments

#26 - Document GridOptions, QMOptions, ChargeConstraintOptions

Pull Request - State: closed - Opened by lilyminium about 3 years ago

#25 - Add documentation

Issue - State: closed - Opened by lilyminium about 3 years ago - 1 comment

#25 - Add documentation

Issue - State: closed - Opened by lilyminium about 3 years ago - 1 comment

#24 - Add utils tests

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 1 comment

#24 - Add utils tests

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 1 comment

#23 - Try full suite of tests

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 2 comments

#23 - Try full suite of tests

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 2 comments

#22 - Add Resp2 support

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 4 comments

#22 - Add Resp2 support

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 4 comments

#21 - Add more tests and fix codecov coverage

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 1 comment

#20 - Add paper

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 2 comments

#20 - Add paper

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 2 comments

#19 - adding more docs, pre-redoing docstrings

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 19 comments

#18 - start adding more docs

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 1 comment

#18 - start adding more docs

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 1 comment

#17 - Another refactor

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 7 comments

#17 - Another refactor

Pull Request - State: closed - Opened by lilyminium about 3 years ago - 7 comments

#16 - small fixes

Pull Request - State: closed - Opened by lilyminium over 3 years ago - 1 comment

#16 - small fixes

Pull Request - State: closed - Opened by lilyminium over 3 years ago - 1 comment

#15 - Ok, not sure that multiprocessing actually works

Issue - State: closed - Opened by lilyminium over 3 years ago - 1 comment

#15 - Ok, not sure that multiprocessing actually works

Issue - State: closed - Opened by lilyminium over 3 years ago - 1 comment

#14 - Change how tmpdirs work

Pull Request - State: closed - Opened by lilyminium over 3 years ago - 1 comment

#14 - Change how tmpdirs work

Pull Request - State: closed - Opened by lilyminium over 3 years ago - 1 comment

#13 - Add more tests and docs

Pull Request - State: closed - Opened by lilyminium over 3 years ago - 1 comment

#13 - Add more tests and docs

Pull Request - State: closed - Opened by lilyminium over 3 years ago - 1 comment

#12 - Refactor

Pull Request - State: closed - Opened by lilyminium over 3 years ago - 8 comments

#11 - Add gh actions

Pull Request - State: closed - Opened by lilyminium over 3 years ago - 1 comment

#10 - Multiprocessing

Pull Request - State: closed - Opened by lilyminium over 3 years ago - 17 comments

#10 - Multiprocessing

Pull Request - State: closed - Opened by lilyminium over 3 years ago - 17 comments

#9 - Read intramolecular constraints in MultiResp when initialised as separate Resp

Issue - State: closed - Opened by lilyminium over 4 years ago - 1 comment

#9 - Read intramolecular constraints in MultiResp when initialised as separate Resp

Issue - State: closed - Opened by lilyminium over 4 years ago - 1 comment

#8 - add n_molecules to value checking

Pull Request - State: closed - Opened by lilyminium over 4 years ago - 2 comments

#8 - add n_molecules to value checking

Pull Request - State: closed - Opened by lilyminium over 4 years ago - 2 comments

#7 - Extend resp2

Pull Request - State: closed - Opened by lilyminium over 4 years ago - 1 comment

#7 - Extend resp2

Pull Request - State: closed - Opened by lilyminium over 4 years ago - 1 comment

#6 - fix flit

Pull Request - State: closed - Opened by lilyminium over 4 years ago

#6 - fix flit

Pull Request - State: closed - Opened by lilyminium over 4 years ago

#5 - configure setup

Pull Request - State: closed - Opened by lilyminium over 4 years ago

#4 - added rtd

Pull Request - State: closed - Opened by lilyminium over 4 years ago

#3 - More app fixing

Pull Request - State: closed - Opened by lilyminium over 4 years ago

#3 - More app fixing

Pull Request - State: closed - Opened by lilyminium over 4 years ago

#2 - added doc stuff

Pull Request - State: closed - Opened by lilyminium over 4 years ago - 2 comments

#2 - added doc stuff

Pull Request - State: closed - Opened by lilyminium over 4 years ago - 2 comments