Program Listing for File nrgData.hpp¶
↰ Return to documentation for file (nrgcore/nrgData.hpp)
#pragma once
#include "nrgcore/qOperator.hpp"
#include "utils/h5stream.hpp"
#include "utils/qmatrix.hpp"
#include "utils/timer.hpp"
#include <array>
#include <ctime>
#include <iostream>
#include <map>
#include <numeric>
#include <optional>
#include <random>
#include <string>
#include <tuple>
#include <vector>
template <typename nrgcore_type> class NrgData {
std::string tmpNrgFilename;
nrgcore_type *nrg_object;
h5stream::h5stream pfiletmp;
bool isClosed = false;
public:
explicit NrgData(const std::string &tfilename =
"") { // We don't want to take nrgObject here
if (tfilename.empty()) {
tmpNrgFilename = "tempfile" + std::to_string(std::rand()) + ".h5";
} else {
tmpNrgFilename = tfilename;
}
pfiletmp.setFileName(tmpNrgFilename);
// TODO(sp): clear the input operator
nrg_object = nullptr;
}
void readFromFile(const std::string &tfile) {
remove(tmpNrgFilename.c_str());
tmpNrgFilename = tfile;
pfiletmp.close();
pfiletmp.setFileName(tmpNrgFilename, "r");
pfiletmp.read<size_t>(savedNRGIndex, "savedNRGIndex");
if (nrg_object != nullptr) {
pfiletmp.read(nrg_object->relativeGroundStateEnergy,
"relativeGroundStateEnergy");
}
}
void setFileName(const std::string &tfile) {
tmpNrgFilename = tfile;
pfiletmp.close();
remove(tmpNrgFilename.c_str());
pfiletmp.setFileName(tmpNrgFilename);
}
explicit NrgData(nrgcore_type *t_nrg_object, // nrgcore_type
const std::string &tfilename = "")
: nrg_object(t_nrg_object) {
if (tfilename.empty()) {
tmpNrgFilename = "tempfile" + std::to_string(std::rand()) + ".h5";
} else {
tmpNrgFilename = tfilename;
}
pfiletmp.setFileName(tmpNrgFilename);
// TODO(sp): clear the input operator
}
void setNRGObject(nrgcore_type *t_nrg_object) { nrg_object = t_nrg_object; }
// ~NrgData() { // clear/delete the temp file
// clear();
// }
void saveFinalState() {
pfiletmp.write<size_t>(savedNRGIndex, "savedNRGIndex");
pfiletmp.write(nrg_object->relativeGroundStateEnergy,
"relativeGroundStateEnergy");
}
void close() {
// save the nrg Index
pfiletmp.close();
isClosed = true;
}
void clear() {
if (!isClosed) {
this->close();
remove(tmpNrgFilename.c_str());
isClosed = true;
}
}
void saveCurrentData() {
// Things to save
// current_hamiltonQ; // next hamiltonians
// current_sysmQ; // next symmetries
// pre_sysmQ; // previous symmetries
// eigenvaluesQ; // Eigenvalues
// coupled_nQ_index;
savedNRGIndex.push_back(nrg_object->nrg_iterations_cnt);
std::string hgroup{"/NrgItr" +
std::to_string(nrg_object->nrg_iterations_cnt) + "/"};
if (debugIO) {
std::cout << "Writing file: " << tmpNrgFilename
<< " for the Group:: " << hgroup << std::endl;
}
pfiletmp.createGroup(hgroup);
// save the data
pfiletmp.write<double>(nrg_object->current_hamiltonQ,
hgroup + "current_hamiltonQ");
pfiletmp.write<int>(nrg_object->current_sysmQ, hgroup + "current_sysmQ");
pfiletmp.write<int>(nrg_object->pre_sysmQ, hgroup + "pre_sysmQ");
pfiletmp.write<double>(nrg_object->eigenvaluesQ, hgroup + "eigenvaluesQ");
pfiletmp.write(nrg_object->coupled_nQ_index, hgroup + "coupled_nQ_index");
pfiletmp.write<size_t>(nrg_object->eigenvaluesQ_kept_indices,
hgroup + "eigenvaluesQ_kept_indices");
pfiletmp.write(nrg_object->all_eigenvalue,
"Eigenvalues" +
std::to_string(nrg_object->nrg_iterations_cnt));
// Close the file
//--------------------------------------------------------------
// End of saveNrgData0
}
void saveqOperator(std::vector<qOperator> *opr, const std::string &hgroup) {
// std::string hgroup{oprString};
if (debugIO) {
std::cout << "Writing file: " << tmpNrgFilename
<< " for the Group:: " << hgroup << std::endl;
}
auto dg = pfiletmp.createGroup(hgroup);
{ dg.write_atr<size_t>(opr->size(), "operatorSize"); }
// save the block size
for (size_t ip = 0; ip < opr->size(); ip++) {
auto localGr = hgroup + "/at" + std::to_string(ip) + "/";
auto ds = pfiletmp.createGroup(localGr);
//
std::vector<std::vector<size_t>> idVector;
std::vector<size_t> colVector;
std::vector<size_t> rowVector;
size_t ic = 0;
for (const auto &aa : *opr->at(ip).getMap()) {
idVector.push_back({aa.first[0], aa.first[1]});
colVector.push_back(aa.second.getcolumn());
rowVector.push_back(aa.second.getrow());
pfiletmp.write<double>(localGr + "qmat" + std::to_string(ic),
aa.second.data(), aa.second.size());
ic++;
}
pfiletmp.write(idVector, localGr + "idVector");
pfiletmp.write<size_t>(colVector, localGr + "colVector");
pfiletmp.write<size_t>(rowVector, localGr + "rowVector");
}
//--------------------------------------------------------------
// End of saveNrgData0
}
void loadqOperator(std::vector<qOperator> *opr, const std::string &hgroup) {
// clear the operator list
opr->clear();
//
if (debugIO) {
std::cout << "Reading file: " << tmpNrgFilename
<< " for the Group:: " << hgroup << std::endl;
}
size_t operatorSize{0};
{
auto ds = pfiletmp.getGroup(hgroup);
ds.read_atr(operatorSize, "operatorSize");
}
// save the block size
opr->resize(operatorSize);
for (size_t ip = 0; ip < operatorSize; ip++) {
auto localGr = hgroup + "/at" + std::to_string(ip) + "/";
qOperator iOperator;
//
std::vector<std::vector<size_t>> idVector;
std::vector<size_t> colVector;
std::vector<size_t> rowVector;
pfiletmp.read(idVector, localGr + "idVector");
pfiletmp.read(colVector, localGr + "colVector");
pfiletmp.read(rowVector, localGr + "rowVector");
for (size_t ic = 0; ic < idVector.size(); ic++) {
std::vector<double> qmat;
pfiletmp.read<double, std::vector>(qmat, localGr + "qmat" +
std::to_string(ic));
iOperator.set(qmatrix(qmat, rowVector[ic], colVector[ic]),
idVector[ic][0], idVector[ic][1]);
}
opr->at(ip) = iOperator;
}
//--------------------------------------------------------------
// End of saveNrgData0
}
void loadCurrentData() { loadCurrentData(nrg_object->nrg_iterations_cnt); }
void loadCurrentData(int in) {
// Things to save
// current_hamiltonQ; // next hamiltonians
// current_sysmQ; // next symmetries
// pre_sysmQ; // previous symmetries
// eigenvaluesQ; // Eigenvalues
// coupled_nQ_index;
nrg_object->nrg_iterations_cnt = in;
std::string hgroup{"/NrgItr" + std::to_string(in) + "/"};
if (debugIO) {
std::cout << "Reading file: " << tmpNrgFilename
<< " for the Group:: " << hgroup << std::endl;
}
// save the data
pfiletmp.read(nrg_object->current_hamiltonQ, hgroup + "current_hamiltonQ");
pfiletmp.read(nrg_object->current_sysmQ, hgroup + "current_sysmQ");
pfiletmp.read(nrg_object->pre_sysmQ, hgroup + "pre_sysmQ");
pfiletmp.read(nrg_object->eigenvaluesQ, hgroup + "eigenvaluesQ");
pfiletmp.read(nrg_object->coupled_nQ_index, hgroup + "coupled_nQ_index");
pfiletmp.read(nrg_object->eigenvaluesQ_kept_indices,
hgroup + "eigenvaluesQ_kept_indices");
// if (save_f_operators) {
// loadqOperator(nrg_object->getWilsonSiteOperators(), "fdag_operator");
//}
//
//--------------------------------------------------------------
// End of loadNrgData0
}
bool debugIO = false;
std::vector<size_t> savedNRGIndex;
};