Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
add icsd_oxidation_states - the set of oxidation states that are obse…
…rved at least 10 times in ICSD using ICSD_BV_PARAMS as guide. This is due to both common_oxidation_states and all_oxidation_states either grossly underproducing or overproducing the oxidation state count. The ICSD oxidation states in this commit are more reasonable, although there are still some things I would hand-tune
- Loading branch information
Showing
3 changed files
with
7 additions
and
1 deletion.
There are no files selected for viewing
Large diffs are not rendered by default.
Oops, something went wrong.
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters