/usr/include/chemps2/TensorO.h is in libchemps2-dev 1.8.5-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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 55 56 57 58 59 60 61 62 63 64 65 66 67 | /*
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Copyright (C) 2013-2018 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 TENSORO_CHEMPS2_H
#define TENSORO_CHEMPS2_H
#include "TensorOperator.h"
#include "TensorT.h"
#include "Problem.h"
namespace CheMPS2{
/** TensorO class.
\author Sebastian Wouters <sebastianwouters@gmail.com>
\date July 31, 2013
The TensorO class is a storage class for overlaps between different MPSs. */
class TensorO : public TensorOperator{
public:
//! Constructor
/** \param boundary_index The boundary index
\param moving_right If true: sweep from left to right. If false: sweep from right to left
\param book_up The symmetry bookkeeper with the upper symmetry sector virtual dimensions
\param book_down The symmetry bookkeeper with the lower symmetry sector virtual dimensions */
TensorO( const int boundary_index, const bool moving_right, const SyBookkeeper * book_up, const SyBookkeeper * book_down );
//! Destructor
virtual ~TensorO();
//! Clear and add the relevant terms to the TensorO
/** \param mps_tensor_up Upper MPS tensor from which the new TensorO should be made
\param mps_tensor_down Lower MPS tensor from which the new TensorO should be made */
void create( TensorT * mps_tensor_up, TensorT * mps_tensor_down );
//! Update the previous TensorO
/** \param mps_tensor_up Upper MPS tensor from which the update should be made
\param mps_tensor_down Lower MPS tensor from which the update should be made
\param previous Previous TensorO from which the update should be made */
void update_ownmem( TensorT * mps_tensor_up, TensorT * mps_tensor_down, TensorO * previous );
private:
//helper functions
void create_right( const int ikappa, TensorT * mps_tensor_up, TensorT * mps_tensor_down );
void create_left( const int ikappa, TensorT * mps_tensor_up, TensorT * mps_tensor_down );
};
}
#endif
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