source: tests/Fragmentations/Fragmenting@ a8961d

IndependentFragmentGrids_Sole_NN_Calculation
Name Size Rev Age Author Last Change
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 tartaric_acid c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
 putrescine c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
 proline c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
 phenanthrene 2cb77c   11 years FrederikHeber FIX: Fragmentations tests used -I and not --correct-bonddegree in case …
 neohexane c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
 naphthalene 2cb77c   11 years FrederikHeber FIX: Fragmentations tests used -I and not --correct-bonddegree in case …
 N_N-dimethylacetamide c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
 isoleucine c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
 heptan c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
 glucose c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
 dimethyl_bromomalonate c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
 cycloheptane c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
 coronene 2cb77c   11 years FrederikHeber FIX: Fragmentations tests used -I and not --correct-bonddegree in case …
 cholesterol c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
 benzene c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
 anthracene 2cb77c   11 years FrederikHeber FIX: Fragmentations tests used -I and not --correct-bonddegree in case …
 2-methylcyclohexanone c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
 1_2-dimethylbenzene c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
 1_2-dimethoxyethane c9db50   11 years FrederikHeber FIX: Removed doubly occuring disclaimer in testsuite files in …
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