cp2k/tests/DFTB/regtest-debug/TEST_FILES
Juerg Hutter 573674aa68 DFTB debug dipole moments
xTB debug dipole moments and polarizabilities
2020-08-31 13:06:57 +02:00

10 lines
671 B
Text

# runs are executed in the same order as in this file
# the second field tells which test should be run in order to compare with the last available output
# e.g. 0 means do not compare anything, running is enough
# 1 compares the last total energy in the file
# for details see cp2k/tools/do_regtest
ch2o_t01.inp 86 1.0E-12 0.712276774819E+00
ch2o_t02.inp 86 1.0E-12 0.712276774819E+00
ch2o_t03.inp 86 1.0E-12 0.755534217819E+00
ch2o_t04.inp 86 1.0E-12 0.718756134707E+00
#EOF