sc::PsiFile11 Class Reference

PsiFile11 is a Psi gradient file. More...

#include <chemistry/qc/psi/psifile11.h>

Inheritance diagram for sc::PsiFile11:

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List of all members.

Public Member Functions
	PsiFile11 (const string &name)
void	open ()
void	close ()
void	remove ()
int	get_natom (int entry)
double	get_energy (int entry)
double	get_coord (int entry, int atom, int xyz)
double	get_grad (int entry, int atom, int xyz)

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Detailed Description

PsiFile11 is a Psi gradient file.

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The documentation for this class was generated from the following file:

• src/lib/chemistry/qc/psi/psifile11.h