Man Linux: Main Page and Category List

NAME

       sc::PsiInput -

       PsiInput is a Psi input file.

SYNOPSIS

       #include <psiinput.h>

       Inherits sc::RefCount.

   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.

Author

       Generated automatically by Doxygen for MPQC from the source code.