/usr/include/chemps2/TensorM.h is in libchemps2-dev 1.6-3.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 | /*
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2015 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 TENSORM_CHEMPS2_H
#define TENSORM_CHEMPS2_H
#include "Tensor.h"
#include "TensorT.h"
#include "TensorSwap.h"
#include "SyBookkeeper.h"
namespace CheMPS2{
/** TensorM class.
\author Sebastian Wouters <sebastianwouters@gmail.com>
\date August 9, 2014
The TensorM class is a storage and manipulation class for a single contracted creator/annihilitor for the two-orbital mutual information. It only exists moving left to right. */
class TensorM : public TensorSwap{
public:
//! Constructor
/** \param indexIn The boundary index
\param IdiffIn The irrep of the one creator ( sandwiched since TensorM )
\param denBKIn The symmetry bookkeeper of the problem to be solved */
TensorM(const int indexIn, const int IdiffIn, const SyBookkeeper * denBKIn);
//! Destructor
virtual ~TensorM();
//Construct new TensorM (vs update)
/** \param denT TensorT from which the new TensorM should be made. */
void construct(TensorT * denT);
};
}
#endif
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