v1thesource/CASTEP
Little programs that help with data manipulation of files in the CASTEP density functional theory code.
Python
Issues
- 1
Extracting final energy from .castep
#1 opened by v1thesource - 1
Brouwer diagram sensitivity analysis
#2 opened by v1thesource - 1
Cleanup useless files
#5 opened by v1thesource - 0
Simplify CASTEP elastic constants method
#9 opened by v1thesource - 1
- 0
put asserts everywhere - sanitise inputs
#8 opened by v1thesource - 0
- 0
Simulation completion check
#3 opened by v1thesource - 0
General submission script
#4 opened by v1thesource