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TensorS1.h
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/*
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CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
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Copyright (C) 2013-2016 Sebastian Wouters
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This program is free software; you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation; either version 2 of the License, or
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(at your option) any later version.
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This program 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 General Public License for more details.
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You should have received a copy of the GNU General Public License along
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with this program; if not, write to the Free Software Foundation, Inc.,
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51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA.
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*/
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#ifndef TENSORS1_CHEMPS2_H
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#define TENSORS1_CHEMPS2_H
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#include "Tensor.h"
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#include "TensorT.h"
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#include "TensorL.h"
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#include "TensorOperator.h"
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#include "SyBookkeeper.h"
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namespace
CheMPS2
{
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class
TensorS1
:
public
TensorOperator
{
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public
:
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TensorS1
(
const
int
boundary_index,
const
int
Idiff,
const
bool
moving_right
,
const
SyBookkeeper
* denBK);
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virtual
~TensorS1
();
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//Make new TensorS1 (vs update)
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void
makenew
(
TensorL
* denL,
TensorT
* denT,
double
* workmem);
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private
:
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//makenew when movingright
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void
makenewRight(
TensorL
* denL,
TensorT
* denT,
double
* workmem);
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//makenew when movingleft
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void
makenewLeft(
TensorL
* denL,
TensorT
* denT,
double
* workmem);
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};
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}
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#endif
CheMPS2::TensorL
Definition:
TensorL.h:32
CheMPS2::TensorS1
Definition:
TensorS1.h:35
CheMPS2
Definition:
CASPT2.h:42
CheMPS2::TensorS1::~TensorS1
virtual ~TensorS1()
Destructor.
Definition:
TensorS1.cpp:38
CheMPS2::TensorS1::TensorS1
TensorS1(const int boundary_index, const int Idiff, const bool moving_right, const SyBookkeeper *denBK)
Constructor.
Definition:
TensorS1.cpp:27
CheMPS2::SyBookkeeper
Definition:
SyBookkeeper.h:34
CheMPS2::TensorS1::makenew
void makenew(TensorL *denL, TensorT *denT, double *workmem)
Definition:
TensorS1.cpp:40
CheMPS2::TensorT
Definition:
TensorT.h:32
CheMPS2::TensorOperator::moving_right
bool moving_right
Whether or not moving right.
Definition:
TensorOperator.h:154
CheMPS2::TensorOperator
Definition:
TensorOperator.h:42
include
chemps2
TensorS1.h
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