QPMS
/
qpms
1
0
Fork 0
Code Issues Pull Requests Projects Releases Wiki Activity

Dense matrix uvswf repre of a general O(3) transformation. 

Former-commit-id: 64cf762991956475bb1a3b208292262fa37f9365
This commit is contained in:
Marek Nečada 2019-02-25 18:39:16 +02:00
parent 0b8f90db6f
commit 147bed193f
2 changed files with 56 additions and 16 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

65
qpms/symmetries.c
View File

@ -1,6 +1,7 @@
#include "symmetries.h"
#include "tiny_inlines.h"
#include "indexing.h"
#include "wigner.h"
// TODO at some point, maybe support also other norms.
// (perhaps just use qpms_normalisation_t_factor() at the right places)
@ -16,15 +17,25 @@ static inline void check_norm_compat(const qpms_vswf_set_spec_t *s)
}
}
complex double *qpms_zflip_uvswi_dense(
complex double *target,
const qpms_vswf_set_spec_t *bspec)
{
// Used in the functions below to ensure memory allocation and checks for bspec validity
static inline complex double *ensure_alloc(complex double *target,
const qpms_vswf_set_spec_t *bspec) {
check_norm_compat(bspec);
const size_t n = bspec->n;
if (target == NULL)
target = malloc(n * n * sizeof(complex double));
if (target == NULL) abort();
return target;
}
complex double *qpms_zflip_uvswi_dense(
complex double *target,
const qpms_vswf_set_spec_t *bspec)
{
target = ensure_alloc(target, bspec);
const size_t n = bspec->n;
for (size_t row = 0; row < n; row++) {
qpms_vswf_type_t rt;
@ -58,11 +69,8 @@ complex double *qpms_yflip_uvswi_dense(
complex double *target,
const qpms_vswf_set_spec_t *bspec)
{
check_norm_compat(bspec);
target = ensure_alloc(target, bspec);
const size_t n = bspec->n;
if (target == NULL)
target = malloc(n * n * sizeof(complex double));
if (target == NULL) abort();
for (size_t row = 0; row < n; row++) {
qpms_vswf_type_t rt;
@ -96,11 +104,8 @@ complex double *qpms_xflip_uvswi_dense(
complex double *target,
const qpms_vswf_set_spec_t *bspec)
{
check_norm_compat(bspec);
target = ensure_alloc(target, bspec);
const size_t n = bspec->n;
if (target == NULL)
target = malloc(n * n * sizeof(complex double));
if (target == NULL) abort();
for (size_t row = 0; row < n; row++) {
qpms_vswf_type_t rt;
@ -137,11 +142,8 @@ complex double *qpms_zrot_uvswi_dense(
double phi ///< Rotation angle
)
{
check_norm_compat(bspec);
target = ensure_alloc(target, bspec);
const size_t n = bspec->n;
if (target == NULL)
target = malloc(n * n * sizeof(complex double));
if (target == NULL) abort();
for (size_t row = 0; row < n; row++) {
qpms_vswf_type_t rt;
@ -175,3 +177,34 @@ complex double *qpms_zrot_rational_uvswi_dense(
return qpms_zrot_uvswi_dense(target, bspec, phi);
}
complex double *qpms_irot3_uvswfi_dense(
complex double *target,
const qpms_vswf_set_spec_t *bspec,
const qpms_irot3_t t)
{
target = ensure_alloc(target, bspec);
const size_t n = bspec->n;
for (size_t row = 0; row < n; row++) {
qpms_vswf_type_t rt;
qpms_l_t rl;
qpms_m_t rm;
qpms_uvswfi2tmn(bspec->ilist[row], &rt, &rm, &rl);
for (size_t col = 0; col < n; col++) {
qpms_vswf_type_t ct;
qpms_l_t cl;
qpms_m_t cm;
if(qpms_uvswfi2tmn(bspec->ilist[col], &ct, &cm, &cl)) abort();
if (rl == cl && rm == cm && rt == ct)
// TODO qpms_vswf_irot_elem_from_irot3 might be slow and not too accurate for large l
target[n*row + col] = // Checkme rm and cm order
qpms_vswf_irot_elem_from_irot3(t,
rl, rm /* CHECKME here */, cm /* and here */,
rt == QPMS_VSWF_MAGNETIC);
else target[n*row + col] = 0;
}
}
return target;
}

7
qpms/symmetries.h
View File

@ -22,6 +22,7 @@
#ifndef SYMMETRIES_H
#define SYMMETRIES_H
#include "vswf.h"
#include "qpms_types.h"
#include <cblas.h>
/// Dense matrix representation of the z coordinate sign flip operation (xy-plane mirroring).
@ -52,4 +53,10 @@ complex double *qpms_zrot_rational_uvswi_dense(
int w
);
/// Dense matrix (uvswi-indexed) representation of any O(3) transformation.
complex double *qpms_irot3_uvswfi_dense(
complex double *target, ///< If NULL, a new array is allocated.
const qpms_vswf_set_spec_t *bspec,
const qpms_irot3_t transf);
#endif // SYMMETRIES_H