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efficient computation of quantum mechanical matrix elements over Gaussian basis sets
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qsnake/libint
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LIBINT (version 2) - a library for the evaluation of molecular integrals of two-body operators over Gaussian functions Copyright (C) 2004-2006 Edward F. Valeev This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation; either version 2 of the License, or (at your option) any later version. This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with this program; if not, write to the Free Software Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. Contact info: e-mail - [email protected] www - http://libint.valeyev.net/
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efficient computation of quantum mechanical matrix elements over Gaussian basis sets
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