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| sc::PsiInput(3) | MPQC | sc::PsiInput(3) |
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)
Additional Inherited Members
Detailed Description
PsiInput is a Psi input file.Author
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