sc_PsiFile11

Langue: en

Autres versions - même langue

Version: 346105 (ubuntu - 24/10/10)

Section: 3 (Bibliothèques de fonctions)

Sommaire

NAME

sc::PsiFile11 -

PsiFile11 is a Psi gradient file.

SYNOPSIS


#include <psifile11.h>

Inherits sc::RefCount.

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)

Detailed Description

PsiFile11 is a Psi gradient file.

Author

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