Axel Kohlmeyer 756c87c7d9 add tool that automatically checks for consistent thermo data

2013-11-24 18:17:22 +01:00

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ref

add tool that automatically checks for consistent thermo data

2013-11-24 18:17:22 +01:00

checklog.py

add tool that automatically checks for consistent thermo data

2013-11-24 18:17:22 +01:00

data.2mols

add simple regression tester for bonds/angles

2013-11-23 17:27:24 +01:00

in.bond_angle

update format selectively to avoid bogus errors on stress

2013-11-24 14:05:01 +01:00

runtests.sh

add tool that automatically checks for consistent thermo data

2013-11-24 18:17:22 +01:00