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)
Detailed Description
PsiInput is a Psi input file.
Author
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