source: tests/regression/Atoms/Add/post

Candidate_v1.6.1
Name Size Rev Age Author Last Change
../
test.xyz 65 bytes d445e4   14 years FrederikHeber Changed regression testsuite structure of Atoms. - All atom-related …
test.pdb 143 bytes ceaab1   9 years FrederikHeber AddAtom now adds a molecule (atom always associated with a molecule). …
test.in 443 bytes 3fb9ab   9 years FrederikHeber FIX: Preventing MPQC from using old temp files for restart. - …
test.data 221 bytes e6e4a0   13 years FrederikHeber FIX: TremoloParser did not treat key F properly in saveLine() and …
test.conf 3.5 KB d445e4   14 years FrederikHeber Changed regression testsuite structure of Atoms. - All atom-related …
empty.conf 3.3 KB f73351   12 years FrederikHeber FIX: Some Thermostats would cause NaN on zero temperature. - …
  • Property mode set to 040000
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