Fix getEnergy bug with index jj <> kk

This commit is contained in:
Alejandro Gallo 2021-10-05 16:49:30 +02:00
parent 7844f15deb
commit 0a861618fd
2 changed files with 2 additions and 2 deletions

View File

@ -1480,7 +1480,7 @@ namespace atrip {
const size_t iend( std::min( No, ii+blockSize) );
for (size_t k(kk); k < kend; k++){
const double ek(epsi[k]);
const size_t jstart = jj > k ? kk : k;
const size_t jstart = jj > k ? jj : k;
for (size_t j(jstart); j < jend; j++){
const double ej(epsi[j]);
double facjk( j == k ? 0.5 : 1.0);

View File

@ -23,7 +23,7 @@ namespace atrip {
const size_t iend( std::min( No, ii+blockSize) );
for (size_t k(kk); k < kend; k++){
const double ek(epsi[k]);
const size_t jstart = jj > k ? kk : k;
const size_t jstart = jj > k ? jj : k;
for (size_t j(jstart); j < jend; j++){
const double ej(epsi[j]);
double facjk( j == k ? 0.5 : 1.0);