sc_PsiFile113
Psifile11 is a psi gradient file.
Usage
#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.
Releases
6 releases since Debian 3.1 (Sarge); the text changed 5 times.