Code

Oxidation States 24#329

Code

Merged

AntObi merged 22 commits intodevelopWMD-group/SMACT:developfrom oxidationstates24WMD-group/SMACT:oxidationstates24Copy head branch name to clipboardNov 20, 2024

+2,732-198

Commits

Commits on Jul 25, 2024

• Initial cleanup of oxidation state data files

  Show description for da611fb
  aronwalsh

  committed
  da611fb

• ICSD (2024) oxidation states

  Show description for b3c544f
  aronwalsh

  committed
  b3c544f

Commits on Jul 27, 2024

• Create oxidation_states_icsd24_common.txt

  Show description for fbd1be3
  aronwalsh

  committed
  fbd1be3

Commits on Jul 28, 2024

• Update oxidation_states_icsd24_counts.json

  Show description for ba132de
  aronwalsh

  committed
  ba132de

Commits on Aug 15, 2024

• Make the filtered 2024 icsd oxidation states available through data_loader

  

  Anthony Onwuli

  committed
  0be9b0b

• Make oxidation_states_icsd24 available through the Element class

  

  Anthony Onwuli

  committed
  e062c1c

• Merge branch 'docs_updates' of https://github.com/WMD-group/SMACT into oxidationstates24

  

  Anthony Onwuli

  committed
  09ebea0

• Add oxidation states utility functions

  

  Anthony Onwuli

  committed
  1e668fc

• Add test files

  

  Anthony Onwuli

  committed
  ec8120e

• Update ICSD24OxStatesFilter

  

  Anthony Onwuli

  committed
  3875854

• Add tests for utils/oxidation

  

  Anthony Onwuli

  committed
  bf75145

Commits on Aug 21, 2024

• Run pre-commit

  AntObi

  committed
  ef94fcb

• Update filter

  AntObi

  committed
  88e83ac

• Add method for creating species lists

  AntObi

  committed
  e580d58

• Add option to format species as 'X1+' or 'X+'

  AntObi

  committed
  c1642ab

• Add test for oxidation filter

  AntObi

  committed
  49e7568

Commits on Aug 24, 2024

• Fixed ICSD24 List

  Show description for 41d7bbb
  aronwalsh

  committed
  41d7bbb

Commits on Aug 30, 2024

• Add function for getting a dataframe of species occurrences

  AntObi

  committed
  13e6eb9

• Update tests and add test for getting occurences

  AntObi

  committed
  b8982be

• Update test files

  AntObi

  committed
  9125edb

Commits on Nov 19, 2024

• Merge branch 'develop' into oxidationstates24

  AntObi

  authored
  99acd4e

Commits on Nov 20, 2024

• Run pre-commit

  AntObi

  committed
  3c73285