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TEST_FILES
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TEST_FILES
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# 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
#
h2o_f11.inp 1 5.0E-11 -17.08499356137981
h2o_f12.inp 1 5.0E-11 -17.23314438613115
h2o_f13.inp 1 8.0E-10 -17.21133582312158
h2o_f14.inp 1 5.0E-11 -17.07269324354837
h2o_f15.inp 1 5.0E-11 -17.18915026270191
h2o_f16.inp 1 5.0E-11 -17.18920549418680
h2o_f17.inp 1 5.0E-11 -17.20475909010159
h2o_f18.inp 1 5.0E-11 -16.70951393575121
h2o_f19.inp 1 5.0E-11 -17.21016952558250
h2o_f20.inp 1 5.0E-11 -17.18911876899797
#EOF