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IPKM/mdevaluate
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Code Issues 1 Pull Requests Activity
185 Commits 7 Branches 0 Tags
715deea1e0a42791a148943038e5effc84ef5f4e
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7 Commits

Author SHA1 Message Date
skloth 33c4756e34 Fixed frame-index selection in occupancy calculation. 2024-05-02 16:17:54 +02:00
skloth 93d020a4de Updated fel test to run faster 2024-02-26 14:14:29 +01:00
skloth b0f29907df Updated fel to triclinic box case 2024-02-08 17:24:22 +01:00
skloth 9e9c865cf9 Adjusted tests 2024-01-10 12:41:18 +01:00
skloth c40ea052b8 Added new function for calculating the occupation matrix 2023-12-08 17:20:06 +01:00
skloth 4efb221a80 Reworked while loops to for loops in free_energy_landscape.py 2023-12-06 15:38:15 +01:00
skloth fa2e793354 Added test for get_fel 2023-12-06 10:55:55 +01:00
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