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../
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atlocal.in
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34 bytes
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abfc95
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11 years
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FrederikHeber |
Added test for mpqc and fragmentation calculations in target …
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Makefile.am
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2.4 KB
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abfc95
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11 years
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FrederikHeber |
Added test for mpqc and fragmentation calculations in target …
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molecuilder.in
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514 bytes
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abfc95
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11 years
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FrederikHeber |
Added test for mpqc and fragmentation calculations in target …
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testsuite-calculations-1_2-dimethoxyethane.at
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1.7 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite-calculations-1_2-dimethylbenzene.at
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1.7 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite-calculations-2-methylcyclohexanone.at
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1.7 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite-calculations-anthracene.at
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1.7 KB
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343c5a
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11 years
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FrederikHeber |
Added CorrectBondDegreeAction and fixed Calculation tests.
- pdb …
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testsuite-calculations-benzene.at
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1.6 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite-calculations-cholesterol.at
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1.7 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite-calculations-coronene.at
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1.6 KB
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343c5a
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11 years
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FrederikHeber |
Added CorrectBondDegreeAction and fixed Calculation tests.
- pdb …
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testsuite-calculations-cycloheptane.at
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1.7 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite-calculations-dimethyl_bromomalonate.at
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1.7 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite-calculations-glucose.at
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1.6 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite-calculations-heptan.at
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1.6 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite-calculations-isoleucine.at
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1.7 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite-calculations-mpqc.at
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1.3 KB
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abfc95
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11 years
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FrederikHeber |
Added test for mpqc and fragmentation calculations in target …
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testsuite-calculations-N_N-dimethylacetamide.at
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1.7 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite-calculations-naphthalene.at
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1.7 KB
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343c5a
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11 years
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FrederikHeber |
Added CorrectBondDegreeAction and fixed Calculation tests.
- pdb …
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testsuite-calculations-neohexane.at
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1.7 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite-calculations-phenanthrene.at
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1.7 KB
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343c5a
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11 years
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FrederikHeber |
Added CorrectBondDegreeAction and fixed Calculation tests.
- pdb …
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testsuite-calculations-proline.at
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1.6 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite-calculations-putrescine.at
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1.7 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite-calculations-tartaric_acid.at
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1.7 KB
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3834b6
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11 years
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FrederikHeber |
TESTFIX: extracheck threshold is _relative_ 1e-5.
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testsuite.at
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2.3 KB
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abfc95
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11 years
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FrederikHeber |
Added test for mpqc and fragmentation calculations in target …
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