diff options
author | Thomas White <taw@physics.org> | 2009-11-13 17:13:11 +0100 |
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committer | Thomas White <taw@physics.org> | 2009-11-13 17:13:11 +0100 |
commit | 26bf7df5817d1df238698dc8f63e4543e746c7c1 (patch) | |
tree | 8be24b25c07844dbb143d8376cbbe6343467ef5e /src/ewald.c | |
parent | ebe633dab856ae1ea857a3c07c6f284c30899874 (diff) |
Solid angle stuff
Diffstat (limited to 'src/ewald.c')
-rw-r--r-- | src/ewald.c | 6 |
1 files changed, 6 insertions, 0 deletions
diff --git a/src/ewald.c b/src/ewald.c index d543d98a..5be65644 100644 --- a/src/ewald.c +++ b/src/ewald.c @@ -30,6 +30,9 @@ void get_ewald(struct image *image) image->qvecs = malloc(image->width * image->height * sizeof(struct threevec)); + image->twotheta = malloc(image->width * image->height + * sizeof(double)); + for ( x=0; x<image->width; x++ ) { for ( y=0; y<image->height; y++ ) { @@ -50,9 +53,12 @@ void get_ewald(struct image *image) qy = k * sin(twothetay); qz = k - k * cos(twotheta); + /* FIXME: Rotate vector here */ + image->qvecs[x + image->width*y].u = qx; image->qvecs[x + image->width*y].v = qy; image->qvecs[x + image->width*y].w = qz; + image->twotheta[x + image->width*y] = twotheta; } } |