MPQC  2.3.1
Public Member Functions
sc::PsiInput Class Reference

PsiInput is a Psi input file. More...

#include <psiinput.h>

Inheritance diagram for sc::PsiInput:
sc::RefCount sc::Identity

List of all members.

Public Member Functions

 PsiInput (const string &name)
void open ()
void close ()
void print (std::ostream &)
void begin_section (const char *s)
void end_section ()
void write_indent ()
void incindent (int)
void decindent (int)
void write_comment (const char *)
void write_keyword (const char *, const char *)
void write_keyword (const char *, int)
void write_keyword (const char *, double)
void write_keyword_array (const char *, int, int *)
void write_keyword_array (const char *, int, double *)
void write_string (const char *)
void write_key_wq (const char *, const char *)
void write_basis (const Ref< GaussianBasisSet > &)
 Construct the "basis" keyword for input.
void write_basis_sets (const Ref< GaussianBasisSet > &)
 Write basis sets explicitly.
void write_geom (const Ref< Molecule > &)
void write_defaults (const Ref< PsiExEnv > &, const char *dertype)

Detailed Description

PsiInput is a Psi input file.


The documentation for this class was generated from the following file:

Generated at Tue Dec 13 2011 00:56:20 for MPQC 2.3.1 using the documentation package Doxygen 1.7.5.1.