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cp2k/tests/FE/regtest-3
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Ole Schütt a42c4d12de do_regtest: Make reference values mandatory
2020-01-28 12:07:44 +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 NONBONDED14: The option is no longer useful. Moreover cp2k would probably crash 2010-11-18 22:36:05 +00:00
Solv_alch_chng_res.inp Add dependcy tags and change project names (setup for a new regtester: to be committed soon) 2010-11-22 17:01:09 +00:00
TEST_FILES prettify TEST_FILES files 2015-08-28 11:26:53 +00:00