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DAPHNE4NFDI
Sassena
Commits
c49bf27f
Commit
c49bf27f
authored
1 year ago
by
Thannozzz
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adjusted spaces to be exact
parent
5271edf8
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1 merge request
!19
Merge develop into main
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1 changed file
src/scatter_devices/all_vectors_scatter_device.cpp
+6
-5
6 additions, 5 deletions
src/scatter_devices/all_vectors_scatter_device.cpp
with
6 additions
and
5 deletions
src/scatter_devices/all_vectors_scatter_device.cpp
+
6
−
5
View file @
c49bf27f
...
...
@@ -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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