Main Page
Classes
Files
Related Pages
Class List
Class Hierarchy
Class Members
sc
::
PsiFile11
sc::PsiFile11 Class Reference
PsiFile11
is a Psi gradient file.
More...
#include <
psifile11.h
>
Inheritance diagram for sc::PsiFile11:
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)
Detailed Description
PsiFile11
is a Psi gradient file.
The documentation for this class was generated from the following file:
psifile11.h
Generated at Mon Dec 3 23:23:54 2007 for
MPQC
2.3.1 using the documentation package
Doxygen
1.5.2.