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sc::PsiFile11(3)                     MPQC                     sc::PsiFile11(3)

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) Additional Inherited Members Detailed Description PsiFile11 is a Psi gradient file. Author Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Fri Feb 19 2016 sc::PsiFile11(3)

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