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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 106 of 118 Search / Filter on:
changed the default header file for writeProJ(at some point this will be mod-ed somehow!)	James Kirkpatrick	More...				almost 15 years ago
changed the dimerise function so that it prints occupied orbitals first	James Kirkpatrick	More...				almost 15 years ago
changed the dimerise function so that it prints occupied orbitals first	James Kirkpatrick	More...				almost 15 years ago
can now read rbitrary basis set structures	James Kirkpatrick	More...				almost 15 years ago
can now read rbitrary basis set structures	James Kirkpatrick	More...				almost 15 years ago
changed the output for the orbitals to look almost identical to fort.7	James Kirkpatrick	More...				almost 15 years ago
changed the output for the orbitals to look almost identical to fort.7	James Kirkpatrick	More...				almost 15 years ago
chenged print for mol_and_orb	James Kirkpatrick	More...				almost 15 years ago
chenged print for mol_and_orb	James Kirkpatrick	More...				almost 15 years ago
updating the projobserver to be able to read and write guesses. bonza	James Kirkpatrick	More...				almost 15 years ago
changed the printing for the orbitals so that it flushes out buffers at the right places	James Kirkpatrick	More...				almost 15 years ago
changed the printing for the orbitals so that it flushes out buffers at the right places	James Kirkpatrick	More...				almost 15 years ago
corrected bug with init stripped orbitals for 2crunittypes with different NBasis	James Kirkpatrick	More...				almost 15 years ago
corrected bug with init stripped orbitals for 2crunittypes with different NBasis	James Kirkpatrick	More...				almost 15 years ago
removed unsigned int bug from orbital, jcalc and crgunittype	James Kirkpatrick	More...				almost 15 years ago
removed unsigned int bug from orbital, jcalc and crgunittype	James Kirkpatrick	More...				almost 15 years ago
added the "MatchNames" to statesaver	James Kirkpatrick	More...				almost 15 years ago
major cleanup of the orbital rotation bonanza	James Kirkpatrick	More...				almost 15 years ago
major cleanup of the orbital rotation bonanza	James Kirkpatrick	More...				almost 15 years ago
removed the d orbital reordering, made basic structure of proJ printer	James Kirkpatrick	More...				almost 15 years ago
removed the d orbital reordering, made basic structure of proJ printer	James Kirkpatrick	More...				almost 15 years ago
added the possibility to mantain all orbitals by selecting a negative number in the transorbs field	James Kirkpatrick	More...				almost 15 years ago
added the possibility to mantain all orbitals by selecting a negative number in the transorbs field	James Kirkpatrick	More...				almost 15 years ago
added possibility for reading in from a basis set (orb reader not checked yet)	James Kirkpatrick	More...				almost 15 years ago
added possibility for reading in from a basis set (orb reader not checked yet)	James Kirkpatrick	More...				almost 15 years ago
added printing of orbitals	James Kirkpatrick	More...				almost 15 years ago
added printing of orbitals	James Kirkpatrick	More...				almost 15 years ago
correctly initializing rates	Thorsten Vehoff	More...				almost 15 years ago
statesaver file now named state.dat not falks.dat	Thorsten Vehoff	More...				almost 15 years ago
Added ctp_integral, fct solely calculating integrals after loading all required info via statesaver (including the nbl)	Thorsten Vehoff	More...				almost 15 years ago

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