/usr/include/chemps2/TensorS1.h is in libchemps2-dev 1.8.3-2.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2016 Sebastian Wouters
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.,
51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
*/
#ifndef TENSORS1_CHEMPS2_H
#define TENSORS1_CHEMPS2_H
#include "Tensor.h"
#include "TensorT.h"
#include "TensorL.h"
#include "TensorOperator.h"
#include "SyBookkeeper.h"
namespace CheMPS2{
/** TensorS1 class.
\author Sebastian Wouters <sebastianwouters@gmail.com>
\date March 1, 2013
The TensorS1 class is a storage and manipulation class for the spin-1 component of two contracted creators or two contracted annihilators. */
class TensorS1 : public TensorOperator{
public:
//! Constructor
/** \param boundary_index The boundary index
\param Idiff Direct product of irreps of the two 2nd quantized operators; both sandwiched & to sandwich
\param moving_right If true: sweep from left to right. If false: sweep from right to left
\param denBK The symmetry sector partitioning */
TensorS1(const int boundary_index, const int Idiff, const bool moving_right, const SyBookkeeper * denBK);
//! Destructor
virtual ~TensorS1();
//Make new TensorS1 (vs update)
/** \param denL TensorL from which the new TensorS1 should be made.
\param denT TensorT from which the new TensorS1 should be made.
\param workmem Work memory */
void makenew(TensorL * denL, TensorT * denT, double * workmem);
private:
//makenew when movingright
void makenewRight(TensorL * denL, TensorT * denT, double * workmem);
//makenew when movingleft
void makenewLeft(TensorL * denL, TensorT * denT, double * workmem);
};
}
#endif
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