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Analyzed 12 months ago. based on code collected 12 months ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Jan 15, 2023 — Jan 15, 2024 Showing page 112 of 118 Search / Filter on:
now AddAtomisticBeads takes a CrgUnit *directly	James Kirkpatrick	More...				about 15 years ago
added a project (cloned from easyJ) to prepare input for projection	James Kirkpatrick	More...				about 15 years ago
added exception to read gauss	James Kirkpatrick	More...				about 15 years ago
added exception to read gauss	James Kirkpatrick	More...				about 15 years ago
added an exception if the numbner of basis sets in the fort.7 are incorrect	James Kirkpatrick	More...				about 15 years ago
added an exception if the numbner of basis sets in the fort.7 are incorrect	James Kirkpatrick	More...				about 15 years ago
empty lines are not a problem	James Kirkpatrick	More...				about 15 years ago
empty lines are not a problem	James Kirkpatrick	More...				about 15 years ago
fixed the destructor for listcharges.xml	James Kirkpatrick	More...				about 15 years ago
fixed the destructor for listcharges.xml	James Kirkpatrick	More...				about 15 years ago
added an error message if empty string is found in mol_and_orb reader	James Kirkpatrick	More...				about 15 years ago
added an error message if empty string is found in mol_and_orb reader	James Kirkpatrick	More...				about 15 years ago
removed CrgUnit( CrgUnit &) creator	James Kirkpatrick	More...				about 15 years ago
removed CrgUnit( CrgUnit &) creator	James Kirkpatrick	More...				about 15 years ago
changed CreateCrgUnit so that it commits with the new constructor	James Kirkpatrick	More...				about 15 years ago
changed CreateCrgUnit so that it commits with the new constructor	James Kirkpatrick	More...				about 15 years ago
got the forward declarations etc to be correct	James Kirkpatrick	More...				about 15 years ago
added explicit destructor for QMNBList()	James Kirkpatrick	More...				about 15 years ago
added correct fatehr son relation between QMtopology and QMNBlist	James Kirkpatrick	More...				about 15 years ago
now the nblist know who's the daddy and viceverse	James Kirkpatrick	More...				about 15 years ago
added PBC to the QMPair	James Kirkpatrick	More...				about 15 years ago
added a constructor from CrgUnit to CrgUnit to Crgunit	James Kirkpatrick	More...				about 15 years ago
added a constructor from CrgUnit to CrgUnit to Crgunit	James Kirkpatrick	More...				about 15 years ago
put two if clauses correctly wihtin brackets	Falk May	More...				about 15 years ago
put two if clauses correctly wihtin brackets	Falk May	More...				about 15 years ago
now chargunit takes in a string rather char as atomtype. NOTE: mostly the change is cosmetic	James Kirkpatrick	More...				about 15 years ago
now chargunit takes in a string rather char as atomtype. NOTE: mostly the change is cosmetic	James Kirkpatrick	More...				about 15 years ago
added the atomistic writer, but have not commited it yet	James Kirkpatrick	More...				about 15 years ago
added comments in qmtopology and defined signature for atomistic bead writer	James Kirkpatrick	More...				about 15 years ago
added check for null pointer in crgunit	James Kirkpatrick	More...				about 15 years ago

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