Provided by: libsc-doc_2.3.1-22build2_all 
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)
Public Member Functions inherited from sc::RefCount
int lock_ptr () const
Lock this object.
int unlock_ptr () const
Unlock this object.
void use_locks (bool inVal)
start and stop using locks on this object
refcount_t nreference () const
Return the reference count.
refcount_t reference ()
Increment the reference count and return the new count.
refcount_t dereference ()
Decrement the reference count and return the new count.
int managed () const
void unmanage ()
Turn off the reference counting mechanism for this object.
int managed () const
Return 1 if the object is managed. Otherwise return 0.
Public Member Functions inherited from sc::Identity
Identifier identifier ()
Return the Identifier for this argument.
Additional Inherited Members
Protected Member Functions inherited from sc::RefCount
RefCount (const RefCount &)
RefCount & operator= (const RefCount &)
Detailed Description
PsiInput is a Psi input file.
Author
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