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src
electronsystems
electronsystem.h
Go to the documentation of this file.
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#ifndef ELECTRONSYSTEM_H
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#define ELECTRONSYSTEM_H
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#include <sys/types.h>
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#include <stdexcept>
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#include <iostream>
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class
ElectronSystem
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{
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public
:
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ElectronSystem
();
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virtual
double
coupledIntegral
(
int
p,
int
r,
int
q,
int
s) = 0;
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virtual
double
uncoupledIntegral
(
int
p,
int
q) = 0;
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virtual
double
overlapIntegral
(
int
p,
int
q) = 0;
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virtual
uint
nBasisFunctions
() = 0;
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virtual
uint
nParticles
() = 0;
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virtual
uint
nParticlesUp
();
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virtual
uint
nParticlesDown
();
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virtual
double
additionalEnergyTerms
() = 0;
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void
setNParticlesDown
(uint nParticlesDown);
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private
:
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bool
m_nParticlesDownSet;
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uint m_nParticlesDown;
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};
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#endif // ELECTRONSYSTEM_H
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