/usr/include/chemps2/TensorF0.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.
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 68 69 70 71 72 73 74 75 76 | /*
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 TENSORF0_CHEMPS2_H
#define TENSORF0_CHEMPS2_H
#include "Tensor.h"
#include "TensorT.h"
#include "TensorL.h"
#include "TensorOperator.h"
#include "SyBookkeeper.h"
namespace CheMPS2{
/** TensorF0 class.
\author Sebastian Wouters <sebastianwouters@gmail.com>
\date March 1, 2013
The TensorF0 class is a storage and manipulation class for the spin-0 component of a contracted creator & annihilator. */
class TensorF0 : 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 bookkeeper */
TensorF0( const int boundary_index, const int Idiff, const bool moving_right, const SyBookkeeper * denBK );
//! Destructor
virtual ~TensorF0();
//Make new TensorF0 (vs update)
/** \param denT TensorT from which the new TensorF0 should be made. */
void makenew(TensorT * denT);
//Make new TensorF0 (vs update)
/** \param denL TensorL from which the new TensorF0 should be made.
\param denT TensorT from which the new TensorF0 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);
//makenew when movingright
void makenewRight(TensorT * denT);
//makenew when movingleft
void makenewLeft(TensorT * denT);
};
}
#endif
|