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)
Detailed Description
PsiFile11 is a Psi gradient file.
Author
- Generated automatically by Doxygen for MPQC from the source code.