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
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