portelli/Grid
1
0
Fork 0
mirror of https://github.com/paboyle/Grid.git synced 2025-08-02 12:47:07 +01:00
Code Releases Activity

Cleaning up the dense matrix and lanczos sector

Browse Source
This commit is contained in:
paboyle
2017-04-15 08:54:11 +01:00
parent a9c22d5f43
commit a8db024c92
13 changed files with 61 additions and 695 deletions
Download Patch File Download Diff File Expand all files Collapse all files

9
lib/algorithms/iterative/ImplicitlyRestartedLanczos.h
View File

@@ -30,6 +30,7 @@ Author: paboyle <paboyle@ph.ed.ac.uk>
#define GRID_IRL_H
#include <string.h> //memset
#ifdef USE_LAPACK
void LAPACK_dstegr(char *jobz, char *range, int *n, double *d, double *e,
double *vl, double *vu, int *il, int *iu, double *abstol,
@@ -37,8 +38,9 @@ void LAPACK_dstegr(char *jobz, char *range, int *n, double *d, double *e,
double *work, int *lwork, int *iwork, int *liwork,
int *info);
#endif
#include "DenseMatrix.h"
#include "EigenSort.h"
#include <Grid/algorithms/densematrix/DenseMatrix.h>
#include <Grid/algorithms/iterative/EigenSort.h>
namespace Grid {
@@ -1088,8 +1090,6 @@ static void Lock(DenseMatrix<T> &H, // Hess mtx
int dfg,
bool herm)
{
//ForceTridiagonal(H);
int M = H.dim;
@@ -1121,7 +1121,6 @@ static void Lock(DenseMatrix<T> &H, // Hess mtx
AH = Hermitian(QQ)*AH;
AH = AH*QQ;
for(int i=con;i<M;i++){
for(int j=con;j<M;j++){