5 Commits

Author	SHA1	Message	Date
Sebastian Kloth	cedfd24bb3	Updated regex test for atom_subsets	2023-12-26 16:05:42 +01:00
Sebastian Kloth	c40ea052b8	Added new function for calculating the occupation matrix	2023-12-08 17:20:06 +01:00
Sebastian Kloth	4efb221a80	Reworked while loops to for loops in free_energy_landscape.py	2023-12-06 15:38:15 +01:00
Sebastian Kloth	fa2e793354	Added test for get_fel	2023-12-06 10:55:55 +01:00
sebastiankloth	68b8e1a305	Initial version	2022-04-20 14:08:38 +02:00