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.