man sc_PsiExEnv (Fonctions bibliothèques) - PsiExEnv specifies a Psi calculation.

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.