diff options
| author | Thomas White <taw@physics.org> | 2014-10-14 16:17:44 +0200 |
|---|---|---|
| committer | Thomas White <taw@physics.org> | 2014-10-14 16:17:44 +0200 |
| commit | 8030ccdc24abd2b1c807ceb7c1bb501f6e44d129 (patch) | |
| tree | 4d86b279c9546b909fd6510d60689ada0fe8cf1f /libcrystfel/src/geometry.c | |
| parent | ab566d34cfa925eaf0c4ea4bbba5c088b276b119 (diff) | |
Final gradients for SCGaussian
Diffstat (limited to 'libcrystfel/src/geometry.c')
| -rw-r--r-- | libcrystfel/src/geometry.c | 5 |
1 files changed, 3 insertions, 2 deletions
diff --git a/libcrystfel/src/geometry.c b/libcrystfel/src/geometry.c index 6bd18e0e..221fe96d 100644 --- a/libcrystfel/src/geometry.c +++ b/libcrystfel/src/geometry.c @@ -135,6 +135,7 @@ double gaussian_fraction(double rlow, double rhigh, double R) { double plow, phigh; const double ng = 2.6; + const double sig = R/ng; /* If the "lower" Ewald sphere is a long way away, use the * position at which the Ewald sphere would just touch the @@ -149,8 +150,8 @@ double gaussian_fraction(double rlow, double rhigh, double R) if ( rhigh < -R ) rhigh = -R; if ( rhigh > +R ) rhigh = +R; - plow = 0.5 * (1.0 + gsl_sf_erf(pow(ng*rlow /R, 2.0)/sqrt(2.0))); - phigh = 0.5 * (1.0 + gsl_sf_erf(pow(ng*rhigh/R, 2.0)/sqrt(2.0))); + plow = 0.5*(1.0 + gsl_sf_erf(rlow/(sig*sqrt(2.0)))); + phigh = 0.5*(1.0 + gsl_sf_erf(rhigh/(sig*sqrt(2.0)))); return plow - phigh; } |