findTDE v1.5.0

hauck-as released this 28 May 21:27

· 1 commit to main since this release

6d4d0b7

Minor update to multi_tde.py

Added command line arguments to find_tde to allow specification of atom type and number rather than relying on latt_dirs_to_calc.csv
Adjusted find_multiple_tde function to use atom type/number arguments

Assets 2