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Commit c49bf27f authored by Thannozzz's avatar Thannozzz
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adjusted spaces to be exact

parent 5271edf8
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......@@ -415,7 +415,7 @@ void AllVectorsScatterDevice::scatter(size_t this_subvector) {
// cerr << "this_subvector " << this_subvector << endl;
// sleep(3);
std::vector<double>& sfs = scatterfactors.get_all();
ReciprocalBox bgbox = scatterfactors.get_recibox();
ImagNum sld = bgbox.get_sld();
coor2_t xlength = bgbox.get_xlength();
......@@ -425,7 +425,7 @@ void AllVectorsScatterDevice::scatter(size_t this_subvector) {
coor2_t xshift= shift.x;
coor2_t yshift= shift.y;
coor2_t zshift= shift.z;
DivAssignment zeronode_assignment(partitioncomm_.size(), 0, NF);
size_t NMAXF = zeronode_assignment.max();
size_t NNPP = partitioncomm_.size();
......@@ -448,6 +448,7 @@ void AllVectorsScatterDevice::scatter(size_t this_subvector) {
coor_t x, y, z;
double esf, p;
ImagNum scatt_box;
#pragma omp parallel
#pragma omp for
......@@ -468,9 +469,9 @@ void AllVectorsScatterDevice::scatter(size_t this_subvector) {
Ai += esf * sin(p);
}
scatt_box= (sld) *xlength * ylength * zlength *
(sinc(qx*xlength/2)) *
(sinc(qy*ylength/2)) *
scatt_box= (sld) *xlength * ylength * zlength *
(sinc(qx*xlength/2)) *
(sinc(qy*ylength/2)) *
(sinc(qz*zlength/2));
ImagNum SubtractScatt=scatt_box*ImagNum(cos(xshift*qx+yshift*qy+zshift*qz), sin(xshift*qx+yshift*qy+zshift*qz));
......
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