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/*
 * Copyright 2009-2018 The VOTCA Development Team (http://www.votca.org)
 *
 * Licensed under the Apache License, Version 2.0 (the "License");
 * you may not use this file except in compliance with the License.
 *
 *     http://www.apache.org/licenses/LICENSE-2.0
 *
 * Unless required by applicable law or agreed to in writing, software
 * distributed under the License is distributed on an "AS IS" BASIS,
 * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
 * See the License for the specific language governing permissions and
 * limitations under the License.
 *
 */
#define BOOST_TEST_MAIN

#define BOOST_TEST_MODULE adiis_test
#include <boost/test/unit_test.hpp>
#include <votca/xtp/adiis.h>
#include <iostream>

using namespace votca::xtp;

BOOST_AUTO_TEST_SUITE(adiis_test)

BOOST_AUTO_TEST_CASE(coeffs_test) {
  std::vector<Eigen::MatrixXd* > _dmatHist;
  std::vector<Eigen::MatrixXd* > _mathist;
  
  
  
  ADIIS adiis;

  
Eigen::MatrixXd* d1=new Eigen::MatrixXd;
*d1=Eigen::MatrixXd::Zero(17,17);
(*d1)<<0.00157507236,0.0337453821,4.48904516e-16,-5.93152213e-16,7.87132607e-17,0.0308759804,2.51254428e-16,-1.49094084e-16,5.77899242e-17,0.00415998114,-0.00445631597,0.00415998114,-0.00445631597,0.00415998114,-0.00445631597,0.00415998114,-0.00445631597,
0.0337453821,0.722983175,2.6642664e-15,-4.44783339e-15,3.45846178e-16,0.661507233,4.39853895e-15,-2.02475102e-15,1.04832445e-15,0.0891261613,-0.0954750329,0.0891261613,-0.0954750329,0.0891261613,-0.0954750329,0.0891261613,-0.0954750329,
4.48904516e-16,2.6642664e-15,1.5219863,2.88657986e-15,2.09034179e-15,-7.942125e-15,0.215492472,2.87270208e-15,-1.40512602e-15,0.141933218,-0.0402359119,0.141933218,-0.0402359119,-0.141933218,0.0402359119,-0.141933218,0.0402359119,
-5.93152213e-16,-4.44783339e-15,2.88657986e-15,1.5219863,-2.31759056e-15,9.21105467e-15,-2.22044605e-15,0.215492472,1.62630326e-15,0.141933218,-0.0402359119,-0.141933218,0.0402359119,-0.141933218,0.0402359119,0.141933218,-0.0402359119,
7.87132607e-17,3.45846178e-16,2.09034179e-15,-2.31759056e-15,1.5219863,2.98901767e-15,-2.04957579e-15,4.79737777e-15,0.215492472,0.141933218,-0.0402359119,-0.141933218,0.0402359119,0.141933218,-0.0402359119,-0.141933218,0.0402359119,
0.0308759804,0.661507233,-7.942125e-15,9.21105467e-15,2.98901767e-15,0.605258649,2.55488257e-15,2.77790162e-17,1.33758513e-15,0.0815476797,-0.0873567007,0.0815476797,-0.0873567007,0.0815476797,-0.0873567007,0.0815476797,-0.0873567007,
2.51254428e-16,4.39853895e-15,0.215492472,-2.22044605e-15,-2.04957579e-15,2.55488257e-15,0.0305107908,3.2959746e-17,-5.2903645e-16,0.0200958051,-0.00569685557,0.0200958051,-0.00569685557,-0.0200958051,0.00569685557,-0.0200958051,0.00569685557,
-1.49094084e-16,-2.02475102e-15,2.87270208e-15,0.215492472,4.79737777e-15,2.77790162e-17,3.2959746e-17,0.0305107908,9.55941055e-16,0.0200958051,-0.00569685557,-0.0200958051,0.00569685557,-0.0200958051,0.00569685557,0.0200958051,-0.00569685557,
5.77899242e-17,1.04832445e-15,-1.40512602e-15,1.62630326e-15,0.215492472,1.33758513e-15,-5.2903645e-16,9.55941055e-16,0.0305107908,0.0200958051,-0.00569685557,-0.0200958051,0.00569685557,0.0200958051,-0.00569685557,-0.0200958051,0.00569685557,
0.00415998114,0.0891261613,0.141933218,0.141933218,0.141933218,0.0815476797,0.0200958051,0.0200958051,0.0200958051,0.0506951329,-0.0230263694,-0.00224894011,-0.00801752871,-0.00224894011,-0.00801752871,-0.00224894011,-0.00801752871,
-0.00445631597,-0.0954750329,-0.0402359119,-0.0402359119,-0.0402359119,-0.0873567007,-0.00569685557,-0.00569685557,-0.00569685557,-0.0230263694,0.015799236,-0.00801752871,0.0115444576,-0.00801752871,0.0115444576,-0.00801752871,0.0115444576,
0.00415998114,0.0891261613,0.141933218,-0.141933218,-0.141933218,0.0815476797,0.0200958051,-0.0200958051,-0.0200958051,-0.00224894011,-0.00801752871,0.0506951329,-0.0230263694,-0.00224894011,-0.00801752871,-0.00224894011,-0.00801752871,
-0.00445631597,-0.0954750329,-0.0402359119,0.0402359119,0.0402359119,-0.0873567007,-0.00569685557,0.00569685557,0.00569685557,-0.00801752871,0.0115444576,-0.0230263694,0.015799236,-0.00801752871,0.0115444576,-0.00801752871,0.0115444576,
0.00415998114,0.0891261613,-0.141933218,-0.141933218,0.141933218,0.0815476797,-0.0200958051,-0.0200958051,0.0200958051,-0.00224894011,-0.00801752871,-0.00224894011,-0.00801752871,0.0506951329,-0.0230263694,-0.00224894011,-0.00801752871,
-0.00445631597,-0.0954750329,0.0402359119,0.0402359119,-0.0402359119,-0.0873567007,0.00569685557,0.00569685557,-0.00569685557,-0.00801752871,0.0115444576,-0.00801752871,0.0115444576,-0.0230263694,0.015799236,-0.00801752871,0.0115444576,
0.00415998114,0.0891261613,-0.141933218,0.141933218,-0.141933218,0.0815476797,-0.0200958051,0.0200958051,-0.0200958051,-0.00224894011,-0.00801752871,-0.00224894011,-0.00801752871,-0.00224894011,-0.00801752871,0.0506951329,-0.0230263694,
-0.00445631597,-0.0954750329,0.0402359119,-0.0402359119,0.0402359119,-0.0873567007,0.00569685557,-0.00569685557,0.00569685557,-0.00801752871,0.0115444576,-0.00801752871,0.0115444576,-0.00801752871,0.0115444576,-0.0230263694,0.015799236;
_dmatHist.push_back(d1);
Eigen::MatrixXd* d2=new Eigen::MatrixXd;  
*d2=Eigen::MatrixXd::Zero(17,17);
(*d2)<<0.00113067308,0.0234807013,2.75153357e-15,2.20623526e-15,2.55343929e-15,0.0242194843,-1.14836338e-14,-1.19349082e-14,-1.16818695e-14,0.00233470139,-0.00503225244,0.00233470139,-0.00503225244,0.00233470139,-0.00503225244,0.00233470139,-0.00503225244,
0.0234807013,0.506795831,1.96929344e-14,1.47658637e-14,1.82565083e-14,0.449981495,-1.47659218e-13,-1.58085765e-13,-1.53118968e-13,0.0652840601,-0.0572374845,0.0652840601,-0.0572374845,0.0652840601,-0.0572374845,0.0652840601,-0.0572374845,
2.75153357e-15,1.96929344e-14,1.06570509,8.25406367e-15,7.13839524e-15,-1.35007168e-13,0.148654077,-3.17926675e-14,-3.34484393e-14,0.101236262,-0.0202701873,0.101236262,-0.0202701873,-0.101236262,0.0202701873,-0.101236262,0.0202701873,
2.20623526e-15,1.47658637e-14,8.25406367e-15,1.06570509,4.63958841e-15,-1.21838502e-13,-3.61166392e-14,0.148654077,-3.27138056e-14,0.101236262,-0.0202701873,-0.101236262,0.0202701873,-0.101236262,0.0202701873,0.101236262,-0.0202701873,
2.55343929e-15,1.82565083e-14,7.13839524e-15,4.63958841e-15,1.06570509,-1.27947338e-13,-3.37586513e-14,-3.05460952e-14,0.148654077,0.101236262,-0.0202701873,-0.101236262,0.0202701873,0.101236262,-0.0202701873,-0.101236262,0.0202701873,
0.0242194843,0.449981495,-1.35007168e-13,-1.21838502e-13,-1.27947338e-13,0.665224564,1.39489732e-12,1.48799728e-12,1.43172697e-12,0.00358237918,-0.238424879,0.00358237918,-0.238424879,0.00358237918,-0.238424879,0.00358237918,-0.238424879,
-1.14836338e-14,-1.47659218e-13,0.148654077,-3.61166392e-14,-3.37586513e-14,1.39489732e-12,0.0366081166,1.73861099e-13,1.75622228e-13,0.00095821862,-0.0589496747,0.00095821862,-0.0589496747,-0.00095821862,0.0589496747,-0.00095821862,0.0589496747,
-1.19349082e-14,-1.58085765e-13,-3.17926675e-14,0.148654077,-3.05460952e-14,1.48799728e-12,1.73861099e-13,0.0366081166,1.688846e-13,0.00095821862,-0.0589496747,-0.00095821862,0.0589496747,-0.00095821862,0.0589496747,0.00095821862,-0.0589496747,
-1.16818695e-14,-1.53118968e-13,-3.34484393e-14,-3.27138056e-14,0.148654077,1.43172697e-12,1.75622228e-13,1.688846e-13,0.0366081166,0.00095821862,-0.0589496747,-0.00095821862,0.0589496747,0.00095821862,-0.0589496747,-0.00095821862,0.0589496747,
0.00233470139,0.0652840601,0.101236262,0.101236262,0.101236262,0.00358237918,0.00095821862,0.00095821862,0.00095821862,0.0811405658,0.164877199,-0.000991884457,-0.0135897555,-0.000991884457,-0.0135897555,-0.000991884457,-0.0135897555,
-0.00503225244,-0.0572374845,-0.0202701873,-0.0202701873,-0.0202701873,-0.238424879,-0.0589496747,-0.0589496747,-0.0589496747,0.164877199,0.735401758,-0.0135897555,-0.0598903608,-0.0135897555,-0.0598903608,-0.0135897555,-0.0598903608,
0.00233470139,0.0652840601,0.101236262,-0.101236262,-0.101236262,0.00358237918,0.00095821862,-0.00095821862,-0.00095821862,-0.000991884457,-0.0135897555,0.0811405658,0.164877199,-0.000991884457,-0.0135897555,-0.000991884457,-0.0135897555,
-0.00503225244,-0.0572374845,-0.0202701873,0.0202701873,0.0202701873,-0.238424879,-0.0589496747,0.0589496747,0.0589496747,-0.0135897555,-0.0598903608,0.164877199,0.735401758,-0.0135897555,-0.0598903608,-0.0135897555,-0.0598903608,
0.00233470139,0.0652840601,-0.101236262,-0.101236262,0.101236262,0.00358237918,-0.00095821862,-0.00095821862,0.00095821862,-0.000991884457,-0.0135897555,-0.000991884457,-0.0135897555,0.0811405658,0.164877199,-0.000991884457,-0.0135897555,
-0.00503225244,-0.0572374845,0.0202701873,0.0202701873,-0.0202701873,-0.238424879,0.0589496747,0.0589496747,-0.0589496747,-0.0135897555,-0.0598903608,-0.0135897555,-0.0598903608,0.164877199,0.735401758,-0.0135897555,-0.0598903608,
0.00233470139,0.0652840601,-0.101236262,0.101236262,-0.101236262,0.00358237918,-0.00095821862,0.00095821862,-0.00095821862,-0.000991884457,-0.0135897555,-0.000991884457,-0.0135897555,-0.000991884457,-0.0135897555,0.0811405658,0.164877199,
-0.00503225244,-0.0572374845,0.0202701873,-0.0202701873,0.0202701873,-0.238424879,0.0589496747,-0.0589496747,0.0589496747,-0.0135897555,-0.0598903608,-0.0135897555,-0.0598903608,-0.0135897555,-0.0598903608,0.164877199,0.735401758;
_dmatHist.push_back(d2);
Eigen::MatrixXd* d3=new Eigen::MatrixXd;  
*d3=Eigen::MatrixXd::Zero(17,17);
 (*d3)<< 0.000793901464,0.0119355753,-1.40268798e-14,-1.33736083e-14,-1.38284636e-14,0.0131916418,-1.90038465e-14,-1.7115047e-14,-1.83111368e-14,-0.000639170975,-0.00567797114,-0.000639170975,-0.00567797114,-0.000639170975,-0.00567797114,-0.000639170975,-0.00567797114,
0.0119355753,0.288311753,4.43648439e-14,4.18260894e-14,4.49262449e-14,0.251249645,-4.31548671e-14,-5.88017665e-14,-4.92704812e-14,0.0488884146,-0.0128520365,0.0488884146,-0.0128520365,0.0488884146,-0.0128520365,0.0488884146,-0.0128520365,
-1.40268798e-14,4.43648439e-14,0.609528476,2.43268911e-13,2.3613892e-13,6.89095958e-13,0.0942236916,-2.95492904e-13,-3.04053598e-13,0.0783697835,0.0355432545,0.0783697835,0.0355432545,-0.0783697835,-0.0355432545,-0.0783697835,-0.0355432545,
-1.33736083e-14,4.18260894e-14,2.43268911e-13,0.609528476,2.40424903e-13,6.58378116e-13,-3.05059296e-13,0.0942236916,-3.01807142e-13,0.0783697835,0.0355432545,-0.0783697835,-0.0355432545,-0.0783697835,-0.0355432545,0.0783697835,0.0355432545,
-1.38284636e-14,4.49262449e-14,2.3613892e-13,2.40424903e-13,0.609528476,6.82646824e-13,-3.03093482e-13,-3.00641592e-13,0.0942236916,0.0783697835,0.0355432545,-0.0783697835,-0.0355432545,0.0783697835,0.0355432545,-0.0783697835,-0.0355432545,
0.0131916418,0.251249645,6.89095958e-13,6.58378116e-13,6.82646824e-13,0.36941951,1.26872449e-12,1.29369708e-12,1.28160653e-12,0.00483257769,-0.128030592,0.00483257768,-0.128030592,0.00483257768,-0.128030592,0.00483257768,-0.128030592,
-1.90038465e-14,-4.31548671e-14,0.0942236916,-3.05059296e-13,-3.03093482e-13,1.26872449e-12,0.0278620861,-3.63843298e-13,-3.64665746e-13,0.014801376,-0.00263635698,0.014801376,-0.00263635698,-0.014801376,0.00263635698,-0.014801376,0.00263635698,
-1.7115047e-14,-5.88017665e-14,-2.95492904e-13,0.0942236916,-3.00641592e-13,1.29369708e-12,-3.63843298e-13,0.0278620861,-3.69133933e-13,0.014801376,-0.00263635698,-0.014801376,0.00263635698,-0.014801376,0.00263635698,0.014801376,-0.00263635698,
-1.83111368e-14,-4.92704812e-14,-3.04053598e-13,-3.01807142e-13,0.0942236916,1.28160653e-12,-3.64665746e-13,-3.69133933e-13,0.0278620861,0.014801376,-0.00263635698,-0.014801376,0.00263635698,0.014801376,-0.00263635698,-0.014801376,0.00263635698,
-0.000639170975,0.0488884146,0.0783697835,0.0783697835,0.0783697835,0.00483257769,0.014801376,0.014801376,0.014801376,0.148361157,0.295418249,-0.00505338103,-0.0308437927,-0.00505338103,-0.0308437927,-0.00505338103,-0.0308437927,
-0.00567797114,-0.0128520365,0.0355432545,0.0355432545,0.0355432545,-0.128030592,-0.00263635698,-0.00263635698,-0.00263635698,0.295418249,0.817121133,-0.0308437927,-0.102944558,-0.0308437927,-0.102944558,-0.0308437927,-0.102944558,
-0.000639170975,0.0488884146,0.0783697835,-0.0783697835,-0.0783697835,0.00483257768,0.014801376,-0.014801376,-0.014801376,-0.00505338103,-0.0308437927,0.148361157,0.295418249,-0.00505338103,-0.0308437927,-0.00505338103,-0.0308437927,
-0.00567797114,-0.0128520365,0.0355432545,-0.0355432545,-0.0355432545,-0.128030592,-0.00263635698,0.00263635698,0.00263635698,-0.0308437927,-0.102944558,0.295418249,0.817121133,-0.0308437927,-0.102944558,-0.0308437927,-0.102944558,
-0.000639170975,0.0488884146,-0.0783697835,-0.0783697835,0.0783697835,0.00483257768,-0.014801376,-0.014801376,0.014801376,-0.00505338103,-0.0308437927,-0.00505338103,-0.0308437927,0.148361157,0.295418249,-0.00505338103,-0.0308437927,
-0.00567797114,-0.0128520365,-0.0355432545,-0.0355432545,0.0355432545,-0.128030592,0.00263635698,0.00263635698,-0.00263635698,-0.0308437927,-0.102944558,-0.0308437927,-0.102944558,0.295418249,0.817121133,-0.0308437927,-0.102944558,
-0.000639170975,0.0488884146,-0.0783697835,0.0783697835,-0.0783697835,0.00483257768,-0.014801376,0.014801376,-0.014801376,-0.00505338103,-0.0308437927,-0.00505338103,-0.0308437927,-0.00505338103,-0.0308437927,0.148361157,0.295418249,
-0.00567797114,-0.0128520365,-0.0355432545,0.0355432545,-0.0355432545,-0.128030592,0.00263635698,-0.00263635698,0.00263635698,-0.0308437927,-0.102944558,-0.0308437927,-0.102944558,-0.0308437927,-0.102944558,0.295418249,0.817121133;
 _dmatHist.push_back(d3);
 
 
Eigen::MatrixXd* h1=new Eigen::MatrixXd;
*h1=Eigen::MatrixXd::Zero(17,17);
 *h1<<20.6650929,-0.736046685,6.91220224e-13,5.86301232e-13,6.54773712e-13,0.975818014,1.31720614e-12,1.30234711e-12,1.31179879e-12,0.037823494,0.408464785,0.037823494,0.408464785,0.037823494,0.408464785,0.037823494,0.408464785,
-0.736046685,1.41566044,6.24139139e-14,4.44946759e-14,3.61974852e-14,0.401429427,-3.69193959e-14,2.39697516e-14,-2.35870753e-14,-0.0738834915,0.112395726,-0.0738834915,0.112395726,-0.0738834915,0.112395726,-0.0738834915,0.112395726,
6.91220224e-13,6.24139139e-14,1.51376515,6.0278598e-14,6.92737071e-14,-2.29854399e-14,0.186532603,-1.32778711e-13,-1.0779655e-13,-0.0234162405,0.0126669166,-0.0234162405,0.0126669166,0.0234162405,-0.0126669166,0.0234162405,-0.0126669166,
5.86301232e-13,4.44946759e-14,6.0278598e-14,1.51376515,1.1067034e-13,1.74326027e-14,-1.327853e-13,0.186532603,-1.26673688e-13,-0.0234162405,0.0126669166,0.0234162405,-0.0126669166,0.0234162405,-0.0126669166,-0.0234162405,0.0126669166,
6.54773712e-13,3.61974852e-14,6.92737071e-14,1.1067034e-13,1.51376515,-2.24511004e-14,-1.07769541e-13,-1.26632088e-13,0.186532603,-0.0234162405,0.0126669166,0.0234162405,-0.0126669166,-0.0234162405,0.0126669166,0.0234162405,-0.0126669166,
0.975818014,0.401429427,-2.29854399e-14,1.74326027e-14,-2.24511004e-14,0.284310819,-6.98729641e-14,1.15034194e-14,-4.87658342e-14,-0.08451792,0.0823249934,-0.08451792,0.0823249934,-0.08451792,0.0823249934,-0.08451792,0.0823249934,
1.31720614e-12,-3.69193959e-14,0.186532603,-1.327853e-13,-1.07769541e-13,-6.98729641e-14,0.270713036,-1.43602445e-13,-1.28956243e-13,-0.0285982779,0.0450793738,-0.0285982779,0.0450793738,0.0285982779,-0.0450793738,0.0285982779,-0.0450793738,
1.30234711e-12,2.39697516e-14,-1.32778711e-13,0.186532603,-1.26632088e-13,1.15034194e-14,-1.43602445e-13,0.270713036,-1.4092587e-13,-0.0285982779,0.0450793738,0.0285982779,-0.0450793738,0.0285982779,-0.0450793738,-0.0285982779,0.0450793738,
1.31179879e-12,-2.35870753e-14,-1.0779655e-13,-1.26673688e-13,0.186532603,-4.87658342e-14,-1.28956243e-13,-1.4092587e-13,0.270713036,-0.0285982779,0.0450793738,0.0285982779,-0.0450793738,-0.0285982779,0.0450793738,0.0285982779,-0.0450793738,
0.037823494,-0.0738834915,-0.0234162405,-0.0234162405,-0.0234162405,-0.08451792,-0.0285982779,-0.0285982779,-0.0285982779,0.412114637,-0.121917634,-0.0187677523,-0.0548799033,-0.0187677523,-0.0548799033,-0.0187677523,-0.0548799033,
0.408464785,0.112395726,0.0126669166,0.0126669166,0.0126669166,0.0823249934,0.0450793738,0.0450793738,0.0450793738,-0.121917634,0.0714492549,-0.0548799033,0.00130926797,-0.0548799033,0.00130926797,-0.0548799033,0.00130926797,
0.037823494,-0.0738834915,-0.0234162405,0.0234162405,0.0234162405,-0.08451792,-0.0285982779,0.0285982779,0.0285982779,-0.0187677523,-0.0548799033,0.412114637,-0.121917634,-0.0187677523,-0.0548799033,-0.0187677523,-0.0548799033,
0.408464785,0.112395726,0.0126669166,-0.0126669166,-0.0126669166,0.0823249934,0.0450793738,-0.0450793738,-0.0450793738,-0.0548799033,0.00130926797,-0.121917634,0.0714492549,-0.0548799033,0.00130926797,-0.0548799033,0.00130926797,
0.037823494,-0.0738834915,0.0234162405,0.0234162405,-0.0234162405,-0.08451792,0.0285982779,0.0285982779,-0.0285982779,-0.0187677523,-0.0548799033,-0.0187677523,-0.0548799033,0.412114637,-0.121917634,-0.0187677523,-0.0548799033,
0.408464785,0.112395726,-0.0126669166,-0.0126669166,0.0126669166,0.0823249934,-0.0450793738,-0.0450793738,0.0450793738,-0.0548799033,0.00130926797,-0.0548799033,0.00130926797,-0.121917634,0.0714492549,-0.0548799033,0.00130926797,
0.037823494,-0.0738834915,0.0234162405,-0.0234162405,0.0234162405,-0.08451792,0.0285982779,-0.0285982779,0.0285982779,-0.0187677523,-0.0548799033,-0.0187677523,-0.0548799033,-0.0187677523,-0.0548799033,0.412114637,-0.121917634,
0.408464785,0.112395726,-0.0126669166,0.0126669166,-0.0126669166,0.0823249934,-0.0450793738,0.0450793738,-0.0450793738,-0.0548799033,0.00130926797,-0.0548799033,0.00130926797,-0.0548799033,0.00130926797,-0.121917634,0.0714492549;

_mathist.push_back(h1);
 
Eigen::MatrixXd* h2=new Eigen::MatrixXd;
 *h2=Eigen::MatrixXd::Zero(17,17);
 *h2<<19.3186093,-0.966888296,6.71190209e-13,5.74264023e-13,6.37351711e-13,0.748367435,1.32103028e-12,1.30734393e-12,1.3160266e-12,0.0143246683,0.306658668,0.0143246683,0.306658668,0.0143246683,0.306658668,0.0143246683,0.306658668,
-0.966888296,0.564096213,-5.9431304e-14,-8.32022058e-14,-8.56090938e-14,-0.168055893,-1.57257468e-13,-1.0396626e-13,-1.45605957e-13,-0.195427134,-0.173734713,-0.195427134,-0.173734713,-0.195427134,-0.173734713,-0.195427134,-0.173734713,
6.71190209e-13,-5.9431304e-14,0.663578514,2.97117232e-14,3.78023941e-14,-2.07389032e-13,-0.131494819,-6.64515631e-13,-6.41983257e-13,-0.116063354,-0.0646849536,-0.116063354,-0.0646849536,0.116063354,0.0646849536,0.116063354,0.0646849536,
5.74264023e-13,-8.32022058e-14,2.97117232e-14,0.663578514,7.5077638e-14,-1.74217732e-13,-6.64580111e-13,-0.131494819,-6.5890543e-13,-0.116063354,-0.0646849536,0.116063354,0.0646849536,0.116063354,0.0646849536,-0.116063354,-0.0646849536,
6.37351711e-13,-8.56090938e-14,3.78023941e-14,7.5077638e-14,0.663578514,-2.06952795e-13,-6.41975407e-13,-6.58862495e-13,-0.131494819,-0.116063354,-0.0646849536,0.116063354,0.0646849536,-0.116063354,-0.0646849536,0.116063354,0.0646849536,
0.748367435,-0.168055893,-2.07389032e-13,-1.74217732e-13,-2.06952795e-13,-0.21011594,-9.17034549e-14,-2.20893609e-14,-7.36995879e-14,-0.21779414,-0.194437617,-0.21779414,-0.194437617,-0.21779414,-0.194437617,-0.21779414,-0.194437617,
1.32103028e-12,-1.57257468e-13,-0.131494819,-6.64580111e-13,-6.41975407e-13,-9.17034549e-14,-0.0131305487,-4.90295015e-15,7.10463999e-15,-0.117540295,-0.0384350948,-0.117540295,-0.0384350948,0.117540295,0.0384350948,0.117540295,0.0384350948,
1.30734393e-12,-1.0396626e-13,-6.64515631e-13,-0.131494819,-6.58862495e-13,-2.20893609e-14,-4.90295015e-15,-0.0131305487,-4.02382301e-16,-0.117540295,-0.0384350948,0.117540295,0.0384350948,0.117540295,0.0384350948,-0.117540295,-0.0384350948,
1.3160266e-12,-1.45605957e-13,-6.41983257e-13,-6.5890543e-13,-0.131494819,-7.36995879e-14,7.10463999e-15,-4.02382301e-16,-0.0131305487,-0.117540295,-0.0384350948,0.117540295,0.0384350948,-0.117540295,-0.0384350948,0.117540295,0.0384350948,
0.0143246683,-0.195427134,-0.116063354,-0.116063354,-0.116063354,-0.21779414,-0.117540295,-0.117540295,-0.117540295,0.130839269,-0.309099441,-0.0235986742,-0.103296492,-0.0235986742,-0.103296492,-0.0235986742,-0.103296492,
0.306658668,-0.173734713,-0.0646849536,-0.0646849536,-0.0646849536,-0.194437617,-0.0384350948,-0.0384350948,-0.0384350948,-0.309099441,-0.189660773,-0.103296492,-0.133917177,-0.103296492,-0.133917177,-0.103296492,-0.133917177,
0.0143246683,-0.195427134,-0.116063354,0.116063354,0.116063354,-0.21779414,-0.117540295,0.117540295,0.117540295,-0.0235986742,-0.103296492,0.130839269,-0.309099441,-0.0235986742,-0.103296492,-0.0235986742,-0.103296492,
0.306658668,-0.173734713,-0.0646849536,0.0646849536,0.0646849536,-0.194437617,-0.0384350948,0.0384350948,0.0384350948,-0.103296492,-0.133917177,-0.309099441,-0.189660773,-0.103296492,-0.133917177,-0.103296492,-0.133917177,
0.0143246683,-0.195427134,0.116063354,0.116063354,-0.116063354,-0.21779414,0.117540295,0.117540295,-0.117540295,-0.0235986742,-0.103296492,-0.0235986742,-0.103296492,0.130839269,-0.309099441,-0.0235986742,-0.103296492,
0.306658668,-0.173734713,0.0646849536,0.0646849536,-0.0646849536,-0.194437617,0.0384350948,0.0384350948,-0.0384350948,-0.103296492,-0.133917177,-0.103296492,-0.133917177,-0.309099441,-0.189660773,-0.103296492,-0.133917177,
0.0143246683,-0.195427134,0.116063354,-0.116063354,0.116063354,-0.21779414,0.117540295,-0.117540295,0.117540295,-0.0235986742,-0.103296492,-0.0235986742,-0.103296492,-0.0235986742,-0.103296492,0.130839269,-0.309099441,
0.306658668,-0.173734713,0.0646849536,-0.0646849536,0.0646849536,-0.194437617,0.0384350948,-0.0384350948,0.0384350948,-0.103296492,-0.133917177,-0.103296492,-0.133917177,-0.103296492,-0.133917177,-0.309099441,-0.189660773;

_mathist.push_back(h2);

Eigen::MatrixXd*h3=new Eigen::MatrixXd;
*h3=Eigen::MatrixXd::Zero(17,17);
*h3<<18.2396482,-1.14406063,6.2768402e-13,5.42001414e-13,5.98041641e-13,0.57113952,1.14193136e-12,1.12980571e-12,1.13755399e-12,-0.00390397444,0.227367628,-0.00390397444,0.227367628,-0.00390397444,0.227367628,-0.00390397444,0.227367628,
-1.14406063,-0.0595793533,2.33136398e-13,2.08888935e-13,2.0805246e-13,-0.580803733,-3.19118322e-14,1.77157687e-14,-2.04882988e-14,-0.280839212,-0.380093553,-0.280839212,-0.380093553,-0.280839212,-0.380093553,-0.280839212,-0.380093553,
6.2768402e-13,2.33136398e-13,0.0378576103,1.73743671e-14,2.74052805e-14,1.97230495e-15,-0.357159535,-7.11933092e-13,-6.91028333e-13,-0.179607515,-0.11900992,-0.179607515,-0.11900992,0.179607515,0.11900992,0.179607515,0.11900992,
5.42001414e-13,2.08888935e-13,1.73743671e-14,0.0378576103,5.59238458e-14,3.322337e-14,-7.1191182e-13,-0.357159535,-7.07394615e-13,-0.179607515,-0.11900992,0.179607515,0.11900992,0.179607515,0.11900992,-0.179607515,-0.11900992,
5.98041641e-13,2.0805246e-13,2.74052805e-14,5.59238458e-14,0.0378576103,3.28773384e-15,-6.91037934e-13,-7.07389016e-13,-0.357159535,-0.179607515,-0.11900992,0.179607515,0.11900992,-0.179607515,-0.11900992,0.179607515,0.11900992,
0.57113952,-0.580803733,1.97230495e-15,3.322337e-14,3.28773384e-15,-0.554873652,8.73188288e-14,1.51058959e-13,1.02220982e-13,-0.302200962,-0.381296987,-0.302200962,-0.381296987,-0.302200962,-0.381296987,-0.302200962,-0.381296987,
1.14193136e-12,-3.19118322e-14,-0.357159535,-7.1191182e-13,-6.91037934e-13,8.73188288e-14,-0.192055554,-1.88308912e-15,7.69475431e-15,-0.16807803,-0.0859275816,-0.16807803,-0.0859275816,0.16807803,0.0859275816,0.16807803,0.0859275816,
1.12980571e-12,1.77157687e-14,-7.11933092e-13,-0.357159535,-7.07389016e-13,1.51058959e-13,-1.88308912e-15,-0.192055554,3.85470593e-15,-0.16807803,-0.0859275816,0.16807803,0.0859275816,0.16807803,0.0859275816,-0.16807803,-0.0859275816,
1.13755399e-12,-2.04882988e-14,-6.91028333e-13,-7.07394615e-13,-0.357159535,1.02220982e-13,7.69475431e-15,3.85470593e-15,-0.192055554,-0.16807803,-0.0859275816,0.16807803,0.0859275816,-0.16807803,-0.0859275816,0.16807803,0.0859275816,
-0.00390397444,-0.280839212,-0.179607515,-0.179607515,-0.179607515,-0.302200962,-0.16807803,-0.16807803,-0.16807803,-0.0143991012,-0.411273518,-0.0270490827,-0.134772773,-0.0270490827,-0.134772773,-0.0270490827,-0.134772773,
0.227367628,-0.380093553,-0.11900992,-0.11900992,-0.11900992,-0.381296987,-0.0859275816,-0.0859275816,-0.0859275816,-0.411273518,-0.338002386,-0.134772773,-0.224536493,-0.134772773,-0.224536493,-0.134772773,-0.224536493,
-0.00390397444,-0.280839212,-0.179607515,0.179607515,0.179607515,-0.302200962,-0.16807803,0.16807803,0.16807803,-0.0270490827,-0.134772773,-0.0143991012,-0.411273518,-0.0270490827,-0.134772773,-0.0270490827,-0.134772773,
0.227367628,-0.380093553,-0.11900992,0.11900992,0.11900992,-0.381296987,-0.0859275816,0.0859275816,0.0859275816,-0.134772773,-0.224536493,-0.411273518,-0.338002386,-0.134772773,-0.224536493,-0.134772773,-0.224536493,
-0.00390397444,-0.280839212,0.179607515,0.179607515,-0.179607515,-0.302200962,0.16807803,0.16807803,-0.16807803,-0.0270490827,-0.134772773,-0.0270490827,-0.134772773,-0.0143991012,-0.411273518,-0.0270490827,-0.134772773,
0.227367628,-0.380093553,0.11900992,0.11900992,-0.11900992,-0.381296987,0.0859275816,0.0859275816,-0.0859275816,-0.134772773,-0.224536493,-0.134772773,-0.224536493,-0.411273518,-0.338002386,-0.134772773,-0.224536493,
-0.00390397444,-0.280839212,0.179607515,-0.179607515,0.179607515,-0.302200962,0.16807803,-0.16807803,0.16807803,-0.0270490827,-0.134772773,-0.0270490827,-0.134772773,-0.0270490827,-0.134772773,-0.0143991012,-0.411273518,
0.227367628,-0.380093553,0.11900992,-0.11900992,0.11900992,-0.381296987,0.0859275816,-0.0859275816,0.0859275816,-0.134772773,-0.224536493,-0.134772773,-0.224536493,-0.134772773,-0.224536493,-0.411273518,-0.338002386;
_mathist.push_back(h3); 


Eigen::VectorXd Coeffs=adiis.CalcCoeff(_dmatHist,_mathist);  

Eigen::VectorXd Ref=Eigen::VectorXd::Zero(3);
Ref<<4.45639501e-17,1.76102089e-18,1;
  
for (std::vector< Eigen::MatrixXd* >::iterator it = _mathist.begin() ; it !=_mathist.end(); ++it){
      delete *it;
  }
  _mathist.clear();
   for (std::vector< Eigen::MatrixXd* >::iterator it = _dmatHist.begin() ; it !=_dmatHist.end(); ++it){
      delete *it;
  }
  _dmatHist.clear();
   



bool check_adiis=Coeffs.isApprox(Ref,0.00001);
if(!check_adiis){
  std::cout<<"Ref:"<<Ref<<std::endl;
  std::cout<<"Coeffs:"<<Coeffs<<std::endl;
  
}
  
BOOST_CHECK_EQUAL(check_adiis, 1);

}

BOOST_AUTO_TEST_SUITE_END()