Re-applied code formatting on C++ code with clang-format --style=llvm.

This commit is contained in:
François Coppens 2021-05-10 14:50:45 +02:00
parent 0984682bdf
commit 5693e177ba
6 changed files with 154 additions and 148 deletions

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@ -128,7 +128,7 @@ template <typename T> bool is_identity(T *A, unsigned int M, double tolerance) {
return true;
}
template <typename T> T norm_max(T * A, unsigned int Dim) {
template <typename T> T norm_max(T *A, unsigned int Dim) {
T res = 0;
for (unsigned int i = 0; i < Dim; i++) {
for (unsigned int j = 0; j < Dim; j++) {
@ -142,37 +142,37 @@ template <typename T> T norm_max(T * A, unsigned int Dim) {
return res;
}
template <typename T> T norm_frobenius2(T * A, unsigned int Dim) {
template <typename T> T norm_frobenius2(T *A, unsigned int Dim) {
T res = 0;
for (unsigned int i = 0; i < Dim; i++) {
for (unsigned int j = 0; j < Dim; j++) {
T delta = A[i * Dim + j];
res += delta*delta;
res += delta * delta;
}
}
return res;
}
template <typename T> T residual_max(T * A, unsigned int Dim) {
T res = 0;
for (unsigned int i = 0; i < Dim; i++) {
for (unsigned int j = 0; j < Dim; j++) {
T delta = A[i * Dim + j] - (i == j);
delta = fabs(delta);
if (delta > res) {
res = delta;
}
}
}
return res;
}
template <typename T> T residual_frobenius2(T * A, unsigned int Dim) {
template <typename T> T residual_max(T *A, unsigned int Dim) {
T res = 0;
for (unsigned int i = 0; i < Dim; i++) {
for (unsigned int j = 0; j < Dim; j++) {
T delta = A[i * Dim + j] - (i == j);
res += delta*delta;
delta = fabs(delta);
if (delta > res) {
res = delta;
}
}
}
return res;
}
template <typename T> T residual_frobenius2(T *A, unsigned int Dim) {
T res = 0;
for (unsigned int i = 0; i < Dim; i++) {
for (unsigned int j = 0; j < Dim; j++) {
T delta = A[i * Dim + j] - (i == j);
res += delta * delta;
}
}
return res;

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@ -80,7 +80,7 @@ void MaponiA3(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
std::cerr << "Breakdown condition triggered at " << Updates_index[l]
<< std::endl;
}
double ibeta = 1.0 / beta;
double ibeta = 1.0 / beta;
// Compute intermediate update to Slater_inv
#ifdef DEBUG
@ -184,7 +184,7 @@ void MaponiA3S(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
}
}
#ifdef DEBUG
showVector(ylk[0][k], Dim+1, "");
showVector(ylk[0][k], Dim + 1, "");
#endif
}
@ -237,7 +237,10 @@ void MaponiA3S(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
(i == j) - (j == component - 1) * ylk[l][p[l + 1]][i + 1] * ibeta;
}
}
matMul(Al, last, next, Dim); tmp = next; next = last; last = tmp;
matMul(Al, last, next, Dim);
tmp = next;
next = last;
last = tmp;
#ifdef DEBUG
showMatrix(last, Dim, "last");
#endif
@ -275,17 +278,17 @@ void MaponiA3S(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
}
extern "C" {
void MaponiA3_f(double **linSlater_inv, unsigned int *Dim,
unsigned int *N_updates, double **linUpdates,
unsigned int **Updates_index) {
MaponiA3(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
}
void MaponiA3_f(double **linSlater_inv, unsigned int *Dim,
unsigned int *N_updates, double **linUpdates,
unsigned int **Updates_index) {
MaponiA3(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
}
}
extern "C" {
void MaponiA3S_f(double **linSlater_inv, unsigned int *Dim,
unsigned int *N_updates, double **linUpdates,
unsigned int **Updates_index) {
MaponiA3S(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
}
void MaponiA3S_f(double **linSlater_inv, unsigned int *Dim,
unsigned int *N_updates, double **linUpdates,
unsigned int **Updates_index) {
MaponiA3S(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
}
}

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@ -173,7 +173,8 @@ void SM3(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
}
// Sherman Morrison, mix between SM3 + SM2
// Leave zero denominators for later (SM3), and when none are left then split (SM2)
// Leave zero denominators for later (SM3), and when none are left then split
// (SM2)
void SM4(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
double *Updates, unsigned int *Updates_index) {
std::cerr << "Called SM4 with " << N_updates << " updates" << std::endl;
@ -237,27 +238,23 @@ void SM4(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
}
extern "C" {
void SM1_f(double **linSlater_inv, unsigned int *Dim,
unsigned int *N_updates, double **linUpdates,
unsigned int **Updates_index) {
SM1(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
}
void SM2_f(double **linSlater_inv, unsigned int *Dim,
unsigned int *N_updates, double **linUpdates,
unsigned int **Updates_index) {
SM2(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
}
void SM3_f(double **linSlater_inv, unsigned int *Dim,
unsigned int *N_updates, double **linUpdates,
unsigned int **Updates_index) {
SM3(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
}
void SM4_f(double **linSlater_inv, unsigned int *Dim,
unsigned int *N_updates, double **linUpdates,
unsigned int **Updates_index) {
SM4(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
}
void SM1_f(double **linSlater_inv, unsigned int *Dim, unsigned int *N_updates,
double **linUpdates, unsigned int **Updates_index) {
SM1(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
}
void SM2_f(double **linSlater_inv, unsigned int *Dim, unsigned int *N_updates,
double **linUpdates, unsigned int **Updates_index) {
SM2(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
}
void SM3_f(double **linSlater_inv, unsigned int *Dim, unsigned int *N_updates,
double **linUpdates, unsigned int **Updates_index) {
SM3(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
}
void SM4_f(double **linSlater_inv, unsigned int *Dim, unsigned int *N_updates,
double **linUpdates, unsigned int **Updates_index) {
SM4(*linSlater_inv, *Dim, *N_updates, *linUpdates, *Updates_index);
}
}

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@ -1,53 +1,61 @@
// main.cpp
#include "SM_Maponi.hpp"
#include "SM_Helpers.hpp"
#include "SM_Maponi.hpp"
int main() {
unsigned int M = 3; // Dimension of the Slater-matrix
unsigned int i, j; // Indices for iterators
unsigned int M = 3; // Dimension of the Slater-matrix
unsigned int i, j; // Indices for iterators
// Declare, allocate all vectors and matrices and fill them with zeros
unsigned int *Ar_index = new unsigned int[M];
double *A = new double[M*M]; // The matrix to be inverted
double *A0 = new double[M*M]; // A diagonal matrix with the digonal elements of A
double *Ar = new double[M*M]; // The update matrix
double *A0_inv = new double[M*M]; // The inverse
// Declare, allocate all vectors and matrices and fill them with zeros
unsigned int *Ar_index = new unsigned int[M];
double *A = new double[M * M]; // The matrix to be inverted
double *A0 =
new double[M * M]; // A diagonal matrix with the digonal elements of A
double *Ar = new double[M * M]; // The update matrix
double *A0_inv = new double[M * M]; // The inverse
// Fill with zeros
for (i = 0; i < M; i++) {
for (j = 0; j < M; j++) {
A0[i*M+j] = 0;
Ar[i*M+j] = 0;
A0_inv[i*M+j] = 0;
}
// Fill with zeros
for (i = 0; i < M; i++) {
for (j = 0; j < M; j++) {
A0[i * M + j] = 0;
Ar[i * M + j] = 0;
A0_inv[i * M + j] = 0;
}
}
// Initialize A with M=3 and fill acc. to Eq. (17) from paper
A[0] = 1; A[3] = 1; A[6] = -1;
A[1] = 1; A[4] = 1; A[7] = 0;
A[2] = -1; A[5] = 0; A[8] = -1;
// Initialize A with M=3 and fill acc. to Eq. (17) from paper
A[0] = 1;
A[3] = 1;
A[6] = -1;
A[1] = 1;
A[4] = 1;
A[7] = 0;
A[2] = -1;
A[5] = 0;
A[8] = -1;
showMatrix(A, M, "A");
showMatrix(A, M, "A");
// Initialize the diagonal matrix A0,
// the inverse of A0_inv of diagonal matrix A0_inv
// and the update matrix Ar
for (i = 0; i < M; i++) {
A0[i*M + i] = A[i*M + i];
A0_inv[i*M + i] = 1.0/A[i*M + i];
Ar_index[i] = i+1; // ! First column needs to start with 1 !
for (j = 0; j < M; j++) {
Ar[i*M + j] = A[i*M + j] - A0[i*M + j];
}
// Initialize the diagonal matrix A0,
// the inverse of A0_inv of diagonal matrix A0_inv
// and the update matrix Ar
for (i = 0; i < M; i++) {
A0[i * M + i] = A[i * M + i];
A0_inv[i * M + i] = 1.0 / A[i * M + i];
Ar_index[i] = i + 1; // ! First column needs to start with 1 !
for (j = 0; j < M; j++) {
Ar[i * M + j] = A[i * M + j] - A0[i * M + j];
}
}
// Define pointers dim and n_updates to use in Sherman-Morrison(...) function call
MaponiA3(A0_inv, M, M, Ar, Ar_index);
showMatrix(A0_inv, M, "A0_inv");
// Define pointers dim and n_updates to use in Sherman-Morrison(...) function
// call
MaponiA3(A0_inv, M, M, Ar, Ar_index);
showMatrix(A0_inv, M, "A0_inv");
// Deallocate all vectors and matrices
delete [] A, A0, A0_inv, Ar, Ar_index;
// Deallocate all vectors and matrices
delete[] A, A0, A0_inv, Ar, Ar_index;
return 0;
return 0;
}

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@ -1,22 +1,22 @@
#include "hdf5/serial/hdf5.h"
#include "hdf5/serial/H5Cpp.h"
#include "hdf5/serial/hdf5.h"
#include "SM_Helpers.hpp"
#include "SM_Maponi.hpp"
#include "SM_Standard.hpp"
#include "SM_Helpers.hpp"
using namespace H5;
// #define DEBUG
const H5std_string FILE_NAME( "dataset.hdf5" );
const H5std_string FILE_NAME("dataset.hdf5");
void read_int(H5File file, std::string key, unsigned int * data) {
void read_int(H5File file, std::string key, unsigned int *data) {
DataSet ds = file.openDataSet(key);
ds.read(data, PredType::STD_U32LE);
ds.close();
}
void read_double(H5File file, std::string key, double * data) {
void read_double(H5File file, std::string key, double *data) {
DataSet ds = file.openDataSet(key);
ds.read(data, PredType::IEEE_F64LE);
ds.close();
@ -32,19 +32,19 @@ int test_cycle(H5File file, int cycle, std::string version, double tolerance) {
read_int(file, group + "/slater_matrix_dim", &dim);
read_int(file, group + "/nupdates", &nupdates);
double * slater_matrix = new double[dim*dim];
double *slater_matrix = new double[dim * dim];
read_double(file, group + "/slater_matrix", slater_matrix);
double * slater_inverse = new double[dim*dim];
double *slater_inverse = new double[dim * dim];
read_double(file, group + "/slater_inverse", slater_inverse);
unsigned int * col_update_index = new unsigned int[nupdates];
unsigned int *col_update_index = new unsigned int[nupdates];
read_int(file, group + "/col_update_index", col_update_index);
double * updates = new double[nupdates*dim];
double *updates = new double[nupdates * dim];
read_double(file, group + "/updates", updates);
double * u = new double[nupdates*dim];
double *u = new double[nupdates * dim];
/* Test */
#ifdef DEBUG
@ -55,8 +55,9 @@ int test_cycle(H5File file, int cycle, std::string version, double tolerance) {
for (j = 0; j < nupdates; j++) {
for (i = 0; i < dim; i++) {
col = col_update_index[j];
u[i + j*dim] = updates[i + j*dim] - slater_matrix[i*dim + (col - 1)];
slater_matrix[i*dim + (col - 1)] = updates[i + j*dim];
u[i + j * dim] =
updates[i + j * dim] - slater_matrix[i * dim + (col - 1)];
slater_matrix[i * dim + (col - 1)] = updates[i + j * dim];
}
}
@ -93,20 +94,20 @@ int test_cycle(H5File file, int cycle, std::string version, double tolerance) {
showMatrix(slater_inverse, dim, "NEW Inverse");
#endif
double * res = new double[dim*dim] {0};
double *res = new double[dim * dim]{0};
matMul(slater_matrix, slater_inverse, res, dim);
bool ok = is_identity(res, dim, tolerance);
double res_max = residual_max(res, dim);
double res2 = residual_frobenius2(res, dim);
std::cout << "Residual = " << version << " " << cycle << " " << res_max << " " << res2 << std::endl;
std::cout << "Residual = " << version << " " << cycle << " " << res_max << " "
<< res2 << std::endl;
#ifdef DEBUG
showMatrix(res, dim, "Result");
#endif
delete [] res, updates, u, col_update_index,
slater_matrix, slater_inverse;
delete[] res, updates, u, col_update_index, slater_matrix, slater_inverse;
return ok;
}
@ -114,7 +115,9 @@ int test_cycle(H5File file, int cycle, std::string version, double tolerance) {
int main(int argc, char **argv) {
if (argc != 5) {
std::cerr << "Execute from within 'datasets/'" << std::endl;
std::cerr << "usage: test_h5 <version> <start cycle> <stop cycle> <tolerance>" << std::endl;
std::cerr
<< "usage: test_h5 <version> <start cycle> <stop cycle> <tolerance>"
<< std::endl;
return 1;
}
std::string version(argv[1]);
@ -124,15 +127,12 @@ int main(int argc, char **argv) {
H5File file(FILE_NAME, H5F_ACC_RDONLY);
bool ok;
for (int cycle = start_cycle; cycle < stop_cycle+1; cycle++) {
for (int cycle = start_cycle; cycle < stop_cycle + 1; cycle++) {
ok = test_cycle(file, cycle, version, tolerance);
if (ok) {
std::cerr << "ok -- cycle " << std::to_string(cycle)
<< std::endl;
}
else {
std::cerr << "failed -- cycle " << std::to_string(cycle)
<< std::endl;
std::cerr << "ok -- cycle " << std::to_string(cycle) << std::endl;
} else {
std::cerr << "failed -- cycle " << std::to_string(cycle) << std::endl;
}
}

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@ -3,31 +3,30 @@
// cycles in a CSV file, instead of accepting a start and an end cycle (which
// makes it easier to select the exact cycles we are interested in with vfc_ci).
#include <hdf5/serial/hdf5.h>
#include <hdf5/serial/H5Cpp.h>
#include <hdf5/serial/hdf5.h>
#include <vector>
#include <fstream>
#include <sstream>
#include <vector>
#include "SM_Helpers.hpp"
#include "SM_Maponi.hpp"
#include "SM_Standard.hpp"
#include "SM_Helpers.hpp"
#include "vfc_probe.h"
using namespace H5;
// #define DEBUG
const H5std_string FILE_NAME( "datasets/ci_dataset.hdf5" );
const H5std_string FILE_NAME("datasets/ci_dataset.hdf5");
void read_int(H5File file, std::string key, unsigned int * data) {
void read_int(H5File file, std::string key, unsigned int *data) {
DataSet ds = file.openDataSet(key);
ds.read(data, PredType::STD_U32LE);
ds.close();
}
void read_double(H5File file, std::string key, double * data) {
void read_double(H5File file, std::string key, double *data) {
DataSet ds = file.openDataSet(key);
ds.read(data, PredType::IEEE_F64LE);
ds.close();
@ -42,14 +41,15 @@ std::vector<int> get_cycles_list(std::string path) {
std::string cycle_str;
std::vector<int> cycles_list = {};
while(string_stream >> cycle_str) {
while (string_stream >> cycle_str) {
cycles_list.push_back(std::stoi(cycle_str));
}
return cycles_list;
}
int test_cycle(H5File file, int cycle, std::string version, vfc_probes * probes) {
int test_cycle(H5File file, int cycle, std::string version,
vfc_probes *probes) {
/* Read the data */
@ -59,11 +59,12 @@ int test_cycle(H5File file, int cycle, std::string version, vfc_probes * probes)
// being zero-padded. This is used when calling vfc_put_probe later on.
std::string zero_padded_group = std::to_string(cycle);
zero_padded_group = "cycle_" +
std::string(5 - zero_padded_group.length(), '0') + zero_padded_group;
std::string(5 - zero_padded_group.length(), '0') +
zero_padded_group;
try{
try {
file.openGroup(group);
} catch(H5::Exception& e){
} catch (H5::Exception &e) {
std::cerr << "group " << group << "not found" << std::endl;
return 0;
}
@ -72,21 +73,20 @@ int test_cycle(H5File file, int cycle, std::string version, vfc_probes * probes)
read_int(file, group + "/slater_matrix_dim", &dim);
read_int(file, group + "/nupdates", &nupdates);
double * slater_matrix = new double[dim*dim];
double *slater_matrix = new double[dim * dim];
read_double(file, group + "/slater_matrix", slater_matrix);
double * slater_inverse = new double[dim*dim];
double *slater_inverse = new double[dim * dim];
read_double(file, group + "/slater_inverse", slater_inverse);
//slater_inverse = transpose(slater_inverse, dim);
// slater_inverse = transpose(slater_inverse, dim);
unsigned int * col_update_index = new unsigned int[nupdates];
unsigned int *col_update_index = new unsigned int[nupdates];
read_int(file, group + "/col_update_index", col_update_index);
double * updates = new double[nupdates*dim];
double *updates = new double[nupdates * dim];
read_double(file, group + "/updates", updates);
double * u = new double[nupdates*dim];
double *u = new double[nupdates * dim];
/* Test */
#ifdef DEBUG
@ -100,8 +100,9 @@ int test_cycle(H5File file, int cycle, std::string version, vfc_probes * probes)
for (j = 0; j < nupdates; j++) {
for (i = 0; i < dim; i++) {
col = col_update_index[j];
u[i + j*dim] = updates[i + j*dim] - slater_matrix[i*dim + (col - 1)];
slater_matrix[i*dim + (col - 1)] = updates[i + j*dim];
u[i + j * dim] =
updates[i + j * dim] - slater_matrix[i * dim + (col - 1)];
slater_matrix[i * dim + (col - 1)] = updates[i + j * dim];
}
}
@ -128,7 +129,7 @@ int test_cycle(H5File file, int cycle, std::string version, vfc_probes * probes)
showMatrix(slater_inverse, dim, "NEW Inverse");
#endif
double * res = new double[dim*dim] {0};
double *res = new double[dim * dim]{0};
matMul(slater_matrix, slater_inverse, res, dim);
bool ok = is_identity(res, dim, 1e-3);
@ -139,11 +140,11 @@ int test_cycle(H5File file, int cycle, std::string version, vfc_probes * probes)
showMatrix(res, dim, "Result");
#endif
vfc_put_probe(probes, &(zero_padded_group)[0], &("res_max_" + version)[0], res_max);
vfc_put_probe(probes, &(zero_padded_group)[0], &("res_max_" + version)[0],
res_max);
vfc_put_probe(probes, &(zero_padded_group)[0], &("res2_" + version)[0], res2);
delete [] res, updates, u, col_update_index,
slater_matrix, slater_inverse;
delete[] res, updates, u, col_update_index, slater_matrix, slater_inverse;
return ok;
}
@ -165,12 +166,9 @@ int main(int argc, char **argv) {
for (int i = 0; i < cycles_list.size(); i++) {
ok = test_cycle(file, cycles_list[i], version, &probes);
if (ok) {
std::cout << "ok -- cycle " << std::to_string(i)
<< std::endl;
}
else {
std::cerr << "failed -- cycle " << std::to_string(i)
<< std::endl;
std::cout << "ok -- cycle " << std::to_string(i) << std::endl;
} else {
std::cerr << "failed -- cycle " << std::to_string(i) << std::endl;
}
}