mpqc.Init

Supports initialization of MPQC. Provides initialization of various runtime components (ThreadGrp, MessageGrp, MADNESS, etc.) as well as translation of simple traditional quantum-chemistry input to the MPQC object-oriented KeyVal input. More...

Classes
class	sc::MPQCIn
	Converts MPQC simple input to object-oriented input. More...
class	sc::MPQCInit
	This helper class simplifies initialization of MPQC. More...
class	sc::ExEnv
	The ExEnv class is used to find out about how the program is being run. More...
class	sc::GetLongOpt
	Parse command line options. More...

Detailed Description

Supports initialization of MPQC. Provides initialization of various runtime components (ThreadGrp, MessageGrp, MADNESS, etc.) as well as translation of simple traditional quantum-chemistry input to the MPQC object-oriented KeyVal input.