From 6062423d9a94433a228ae822fe2017e4ee103a21 Mon Sep 17 00:00:00 2001 From: Thomas White Date: Tue, 24 Nov 2009 17:37:54 +0100 Subject: Comments --- src/sfac.c | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) (limited to 'src/sfac.c') diff --git a/src/sfac.c b/src/sfac.c index c13ed3b8..7257bf01 100644 --- a/src/sfac.c +++ b/src/sfac.c @@ -116,7 +116,7 @@ static double complex get_f1f2(const char *n, double en) } -/* s = sin(theta)/lambda */ +/* s = sin(theta)/lambda in metres^-1*/ static double get_waas_kirf(const char *n, double s) { FILE *fh; @@ -195,6 +195,8 @@ double complex get_sfac(const char *n, double s, double en) double complex f1f2; double fq, fq0; + /* Use the complex scattering factor from Henke, and add the + * falloff in the real part from Waas/Kirf */ f1f2 = get_f1f2(n, en); fq = get_waas_kirf(n, s); fq0 = get_waas_kirf(n, 0.0); @@ -352,11 +354,11 @@ struct molecule *load_molecule() spec = malloc(sizeof(struct mol_species)); memcpy(spec->species, el, 4); - spec->x[0] = x*1.0e-10; /* Convert to nm */ + spec->x[0] = x*1.0e-10; /* Convert to m */ spec->y[0] = y*1.0e-10; spec->z[0] = z*1.0e-10; spec->occ[0] = occ; - spec->B[0] = B*1.0e-20; /* Convert to nm^2 */ + spec->B[0] = B*1.0e-20; /* Convert to m^2 */ spec->n_atoms = 1; mol->species[mol->n_species] = spec; -- cgit v1.2.3