LIBINT
2.6.0
include
libint2
deriv_iter.h
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/*
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* Copyright (C) 2004-2019 Edward F. Valeev
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*
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* This file is part of Libint.
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*
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* Libint is free software: you can redistribute it and/or modify
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* it under the terms of the GNU Lesser General Public License as published by
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* the Free Software Foundation, either version 3 of the License, or
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* (at your option) any later version.
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*
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* Libint is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU Lesser General Public License for more details.
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*
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* You should have received a copy of the GNU Lesser General Public License
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* along with Libint. If not, see <http://www.gnu.org/licenses/>.
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*
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*/
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#ifndef _libint2_include_libint2_deriviter_h_
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#define _libint2_include_libint2_deriviter_h_
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#include <libint2/util/intpart_iter.h>
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namespace
libint2
{
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template
<
unsigned
int
NCenters>
using
CartesianDerivIterator
=
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FixedOrderedIntegerPartitionIterator<std::array<unsigned int, NCenters*3>
>;
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}
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#endif
/* header guard */
libint2
Defaults definitions for various parameters assumed by Libint.
Definition:
algebra.cc:24
libint2::CartesianDerivIterator
FixedOrderedIntegerPartitionIterator< std::array< unsigned int, NCenters *3 > > CartesianDerivIterator
Iterates over unique derivative indices.
Definition:
deriv_iter.h:30
libint2::FixedOrderedIntegerPartitionIterator
Iterates over all partitions of a non-negative integer into nonnegative integers in reverse lexicog...
Definition:
intpart_iter.h:74
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