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Man Pages


Manual Reference Pages  -  SC_PSIEXENV (3)

NAME

sc::PsiExEnv - PsiExEnv specifies a Psi calculation.

CONTENTS

Synopsis

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

Generated automatically by Doxygen for MPQC from the source code.

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Version 2.3.1 SC::PSIEXENV (3) Sun Apr 3 2016

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