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findTDE v1.4.0

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@hauck-as hauck-as released this 04 Dec 18:53
· 7 commits to main since this release

Change execution of VASP and LAMMPS to be variable. Previous execution lines are set as current defaults. Bash option -x now may be used to specify execution line for find_tde. find_multiple_tde in multi_tde.py now accepts this option as well.