sc_PsiExEnv man page

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.

Additional Inherited Members

Detailed Description

PsiExEnv specifies a Psi calculation.

Author

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Info

Fri May 6 2016 Version 2.3.1 MPQC