sc::PsiExEnv(3)

NAME
sc::PsiExEnv -

PsiExEnv specifies a Psi calculation'.

SYNOPSIS

#include <psiexenv.h>

Inherits sc::DescribedClass'.

  Public Member Functions
PsiExEnv (const Ref< KeyVal > &)
PsiExEnv (char *cwd, char *fileprefix, int nscratch, char **scratch)
Ref< PsiInput > get_psi_input () const
Returns the PsiInput object which PsiExEnv uses'.
Ref< PsiFile11 > get_psi_file11 () const
Returns the PsiFile11 object which PsiExEnv uses'.
int run_psi ()
Executes Psi input+driver'.
int run_psi_module (char *)
Executes a Psi module'.
string get_cwd () const
Returns current working directory'.
string get_fileprefix () const
Returns the Psi file prefix'.
int get_nscratch () const
Returns the number of scratch locations'.
string get_scratch (int i) const
Returns the ith scratch location'.
void print (std::ostream &o=ExEnv::out0()) const
Print the object'.

Detailed Description

PsiExEnv specifies a Psi calculation'.

Author

Generated automatically by Doxygen for MPQC from the source code'.