MPQC  3.0.0-alpha
sc::MPQCInit Class Reference

This helper class simplifies initialization of MPQC. More...

#include </Users/evaleev/code/mpqc3/src/bin/mpqc/mpqcinit.h>

Public Member Functions

 MPQCInit (GetLongOpt &opt, int &argc, char **argv)
 Create the initializer. More...
 
void init_fp ()
 Initialize the floating point control word.
 
void init_limits ()
 Initialize the resource limits.
 
sc::Ref< sc::MessageGrpinit_messagegrp ()
 Return the initial MessageGrp object.
 
sc::Ref< sc::KeyValinit_keyval (const sc::Ref< sc::MessageGrp > &grp, const std::string &filename)
 Return the initial KeyVal object.
 

Static Public Member Functions

static MPQCInitinstance ()
 returns ptr to the only instance of this object; 0 if has not been constructed
 

init

These members initialize MPQC defaults (such as ThreadGrp, Integral, etc.).

All try environment first, then keyval (which may be null), to initialize the corresponding default object.

sc::Ref< sc::ThreadGrpinit_threadgrp (Ref< sc::KeyVal > keyval=Ref< KeyVal >())
 Return the initial ThreadGrp.
 
sc::Ref< sc::MemoryGrpinit_memorygrp (Ref< sc::KeyVal > keyval=Ref< KeyVal >())
 Return the initial MemoryGrp.
 
void init_integrals (Ref< KeyVal > keyval=Ref< KeyVal >())
 Initialize the default integral factory.
 
void init_resources (Ref< KeyVal > keyval=Ref< KeyVal >())
 Initialize the default ConsumableResources object.
 
void init_timer (const Ref< MessageGrp > &grp, Ref< KeyVal > keyval=Ref< KeyVal >())
 Initialize the default region timer.
 
void init_io (const sc::Ref< sc::MessageGrp > &grp)
 Initialize formatted I/O.
 
void init_basename (const std::string &input_filename, const std::string &output_filename="")
 Initialize the name used to construct data file names.
 
sc::Ref< sc::KeyValinit (const std::string &input_filename, const std::string &output_filename="")
 Calls all of the initialize routines in the proper sequence. More...
 

Detailed Description

This helper class simplifies initialization of MPQC.

Only one object must be created since the initialization performed by this class can only be done once per program lifetime.

Constructor & Destructor Documentation

◆ MPQCInit()

sc::MPQCInit::MPQCInit ( GetLongOpt opt,
int &  argc,
char **  argv 
)

Create the initializer.

Only one object of this time can be created. Needed options will be enrolled in the opt object. The parse member of opt must be called after this constructor completes, but before any of the other members of MPQCInit are called.

N.B. This is not explicitly implemented as a Singleton for syntactic reasons.

Member Function Documentation

◆ init()

sc::Ref<sc::KeyVal> sc::MPQCInit::init ( const std::string &  input_filename,
const std::string &  output_filename = "" 
)

Calls all of the initialize routines in the proper sequence.

The parse member for the GetLongOpt object given to the constructor must have been called before this is called.


The documentation for this class was generated from the following file:

Generated at Sun Jan 26 2020 23:24:08 for MPQC 3.0.0-alpha using the documentation package Doxygen 1.8.16.