aplowman castep-parse issues - Githubissues

aplowman / castep-parse

Input file writers and output file readers for the density functional theory code CASTEP.

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Parse AIRSS `.res` files

#5 janosh opened 2 years ago
1
Sort out dev branch

#4 aplowman closed 2 years ago
0
[WIP] Support parsing phonon results in the `.castep` file

#3 aplowman opened 2 years ago
1
Support parsing DFPT results from the castep file

#2 amundmr opened 2 years ago
6
`write_input_files` does not work if `param=None`

#1 aplowman closed 4 years ago
1