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cp2k/tests/FE/regtest-3
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Ole Schütt 3d0b1c90e6 Tests: Convert TEST_TYPES to matchers.py
2025-03-01 19:07:38 +01:00
..
ala_s.pdb printing biased and weighting energy for alchemical change free energy calculations. 2007-05-12 13:34:24 +00:00
ala_s.pot printing biased and weighting energy for alchemical change free energy calculations. 2007-05-12 13:34:24 +00:00
ala_s.psf printing biased and weighting energy for alchemical change free energy calculations. 2007-05-12 13:34:24 +00:00
ser_s.pdb printing biased and weighting energy for alchemical change free energy calculations. 2007-05-12 13:34:24 +00:00
ser_s.pot printing biased and weighting energy for alchemical change free energy calculations. 2007-05-12 13:34:24 +00:00
ser_s.psf printing biased and weighting energy for alchemical change free energy calculations. 2007-05-12 13:34:24 +00:00
Solv_alch_chng.inp Format all input files 2023-12-18 22:41:19 +01:00
Solv_alch_chng_res.inp Format all input files 2023-12-18 22:41:19 +01:00
TEST_FILES.toml Tests: Convert TEST_TYPES to matchers.py 2025-03-01 19:07:38 +01:00