MPQC
3.0.0-alpha
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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::MessageGrp > | init_messagegrp () |
Return the initial MessageGrp object. | |
sc::Ref< sc::KeyVal > | init_keyval (const sc::Ref< sc::MessageGrp > &grp, const std::string &filename) |
Return the initial KeyVal object. | |
Static Public Member Functions | |
static MPQCInit * | instance () |
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 | |
sc::Ref< sc::ThreadGrp > | init_threadgrp (Ref< sc::KeyVal > keyval=Ref< KeyVal >()) |
Return the initial ThreadGrp. | |
sc::Ref< sc::MemoryGrp > | init_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::KeyVal > | init (const std::string &input_filename, const std::string &output_filename="") |
Calls all of the initialize routines in the proper sequence. More... | |
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.
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.
sc::Ref<sc::KeyVal> sc::MPQCInit::init | ( | const std::string & | input_filename, |
const std::string & | output_filename = "" |
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) |
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.