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mdevaluate
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5 Commits
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Sebastian Kloth
b0f29907df
Updated fel to triclinic box case
2024-02-08 17:24:22 +01:00
Sebastian Kloth
9e9c865cf9
Adjusted tests
2024-01-10 12:41:18 +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