Commit 31a8c06c by Francois Gygi

added omp pragmas

git-svn-id: http://qboxcode.org/svn/qb/trunk@1168 cba15fb0-1239-40c8-b417-11db7ca47a34
parent f0fab168
......@@ -357,16 +357,11 @@ void SlaterDet::rs_mul_add(FourierTransform& ft,
{
ft.backward(c_.cvalptr(n*mloc),
c_.cvalptr((n+1)*mloc),&tmp[0]);
int ii = 0;
#pragma omp parallel for
for ( int i = 0; i < np012loc; i++ )
{
const double psi1 = p[ii];
const double psi2 = p[ii+1];
const double vii = v[i];
p[ii] = vii * psi1;
p[ii+1] = vii * psi2;
ii++; ii++;
}
tmp[i] *= v[i];
ft.forward(&tmp[0], &ctmp[0], &ctmp[mloc]);
int len = 4 * mloc;
int inc1 = 1;
......@@ -377,15 +372,11 @@ void SlaterDet::rs_mul_add(FourierTransform& ft,
{
const int n = nstloc()-1;
ft.backward(c_.cvalptr(n*mloc),&tmp[0]);
int ii = 0;
#pragma omp parallel for
for ( int i = 0; i < np012loc; i++ )
{
const double psi1 = p[ii];
const double vii = v[i];
p[ii] = vii * psi1;
p[ii+1] = 0.0;
ii++; ii++;
}
tmp[i] *= v[i];
ft.forward(&tmp[0], &ctmp[0]);
int len = 2 * mloc;
int inc1 = 1;
......@@ -399,8 +390,11 @@ void SlaterDet::rs_mul_add(FourierTransform& ft,
for ( int n = 0; n < nstloc(); n++ )
{
ft.backward(c_.cvalptr(n*mloc),&tmp[0]);
#pragma omp parallel for
for ( int i = 0; i < np012loc; i++ )
tmp[i] *= v[i];
ft.forward(&tmp[0], &ctmp[0]);
int len = 2 * mloc;
int inc1 = 1;
......
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