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Minor tweak 

Former-commit-id: 3e8bcfa06b17bd6defa0a60f0f394d9ef4cf14a8
This commit is contained in:
Marek Nečada 2018-05-17 06:02:05 +03:00
parent d00ffb2de2
commit a7e74d7bf4
2 changed files with 4 additions and 2 deletions
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4
qpms/apps/hexlattice_ewald.c
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@ -12,7 +12,7 @@
#include "translations.h" #include "translations.h"
#define MAXOMEGACOUNT 1000 #define MAXOMEGACOUNT 1000
#define MAXKCOUNT 10000 #define MAXKCOUNT 100
const double s3 = 1.732050807568877293527446341505872366942805253810380628055; const double s3 = 1.732050807568877293527446341505872366942805253810380628055;
// IMPORTANT: lattice properties here // IMPORTANT: lattice properties here
@ -177,7 +177,7 @@ int main (int argc, char **argv) {
fclose(f); fclose(f);
*/ */
int kcount = 1000; int kcount = MAXKCOUNT;
for (int i = 0; i < kcount; ++i) { for (int i = 0; i < kcount; ++i) {
klist[i].x = 0; klist[i].x = 0;
klist[i].y = 2. * 4. * M_PI / 3. / LATTICE_A / kcount * i; klist[i].y = 2. * 4. * M_PI / 3. / LATTICE_A / kcount * i;

2
qpms/translations.c
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@ -1091,7 +1091,9 @@ int qpms_trans_calculator_get_AB_arrays_buf(const qpms_trans_calculator *c,
size_t desti = 0, srci = 0; size_t desti = 0, srci = 0;
for (int n = 1; n <= c->lMax; ++n) for (int m = -n; m <= n; ++m) { for (int n = 1; n <= c->lMax; ++n) for (int m = -n; m <= n; ++m) {
for (int nu = 1; nu <= c->lMax; ++nu) for (int mu = -nu; mu <= nu; ++mu) { for (int nu = 1; nu <= c->lMax; ++nu) for (int mu = -nu; mu <= nu; ++mu) {
#ifndef NDEBUG
size_t assertindex = qpms_trans_calculator_index_mnmunu(c,m,n,mu,nu); size_t assertindex = qpms_trans_calculator_index_mnmunu(c,m,n,mu,nu);
#endif
assert(assertindex == desti*c->nelem + srci); assert(assertindex == desti*c->nelem + srci);
*(Adest + deststride * desti + srcstride * srci) = *(Adest + deststride * desti + srcstride * srci) =
qpms_trans_calculator_get_A_precalcbuf(c,m,n,mu,nu, qpms_trans_calculator_get_A_precalcbuf(c,m,n,mu,nu,