#include "mpqc_init.h"
#include "mpqc/mpqc_config.h"
#include <TiledArray/initialize.h>
#include <madness/world/worldmem.h>
#include "mpqc/util/core/exception.h"
#include "mpqc/util/core/exenv.h"
#include "mpqc/util/core/formio.h"
#include "mpqc/util/external/c++/filesystem"
#include "mpqc/util/external/madworld/default_madworld.h"
#include "mpqc/util/external/madworld/parallel_file.h"
#include "mpqc/util/keyval/keyval.h"
#include "mpqc/util/misc/assert.h"
#include <TiledArray/sparse_shape.h>
#include <libint2.hpp>
#include <libgen.h>
#include <clocale>
#include <cstdlib>
#include <memory>
#include <sstream>
#include <sys/resource.h>
#include <cfenv>

Include dependency graph for mpqc_init.cpp:

Namespaces
	mpqc
	The top-level namespace for all Massively Parallel Quantum Chemistry package.

Functions
void	mpqc::initialize (int &argc, char **argv, madness::World &top_world, std::shared_ptr< GetLongOpt > opt=std::shared_ptr< GetLongOpt >())
	Static MPQC initializer. Must be called from the main thread of every process in the default MADWorld World before doing any MPQC-specific computation (e.g. before creating mpqc::MPQC objects). More...

void	mpqc::initialize (int &argc, char **argv, std::shared_ptr< GetLongOpt > opt=std::shared_ptr< GetLongOpt >())
	The version of initialize that initializes MADNESS and TiledArray and uses MPI_COMM_WORLD as the context. More...

void	mpqc::finalize ()
	Finalize MPQC. More...

void	mpqc::initialize_fpe ()
	Initializes the floating point exceptions. More...

std::tuple< std::shared_ptr< mpqc::KeyVal >, KeyVal::InputFormat >	mpqc::make_keyval (madness::World &world, const std::string &filename)
	Constructs a KeyVal object on every rank of `world` by reading file `filename` on rank 0. More...

std::shared_ptr< GetLongOpt >	mpqc::make_options ()
	Creates a default options parser object for an MPQC executable. More...

std::tuple< std::string, std::optional< std::string > >	mpqc::process_options (madness::World &world, const std::shared_ptr< GetLongOpt > &options)
	Processes command-line options parsed by the options parser. More...

Namespaces

Functions