OpenRDM
An open-source library for reduced-density matrix-based analysis and computation
mcpdft_solver.cc File Reference
#include <stdlib.h>
#include <stdio.h>
#include <math.h>
#include <algorithm>
#include <vector>
#include <utility>
#include <tuple>
#include <fstream>
#include <iostream>
#include <iomanip>
#include <string>
#include "psi4/libpsi4util/libpsi4util.h"
#include "psi4/libqt/qt.h"
#include "psi4/libfock/jk.h"
#include "psi4/libfock/v.h"
#include "psi4/libfunctional/superfunctional.h"
#include "psi4/libfock/points.h"
#include "psi4/libfock/cubature.h"
#include "psi4/psi4-dec.h"
#include "psi4/liboptions/liboptions.h"
#include "psi4/libpsio/psio.hpp"
#include "psi4/libmints/wavefunction.h"
#include "psi4/libmints/mintshelper.h"
#include "psi4/libmints/matrix.h"
#include "psi4/libmints/vector.h"
#include "psi4/libmints/basisset.h"
#include "psi4/libmints/molecule.h"
#include "psi4/lib3index/dftensor.h"
#include "psi4/libscf_solver/hf.h"
#include "mcpdft_solver.h"
#include "blas.h"
#include "blas_mangle.h"
#include <psi4/psifiles.h>
#include <psi4/libiwl/iwl.h>
#include <psi4/libtrans/integraltransform.h>
#include <psi4/libpsi4util/PsiOutStream.h>

Namespaces

 psi
 
 psi::mcpdft
 

Macros

#define omp_get_wtime()   ( (double)clock() / CLOCKS_PER_SEC )
 
#define omp_get_max_threads()   1
 

Macro Definition Documentation

#define omp_get_max_threads ( )    1
#define omp_get_wtime ( )    ( (double)clock() / CLOCKS_PER_SEC )