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Diffstat (limited to 'src/refine-cgrad.h')
-rw-r--r-- | src/refine-cgrad.h | 26 |
1 files changed, 26 insertions, 0 deletions
diff --git a/src/refine-cgrad.h b/src/refine-cgrad.h new file mode 100644 index 0000000..1f28a39 --- /dev/null +++ b/src/refine-cgrad.h @@ -0,0 +1,26 @@ +/* + * refine-cgrad.h + * + * Refinement by Conjugate Gradient Minimisation + * + * (c) 2006-2007 Thomas White <taw27@cam.ac.uk> + * + * synth2d - Two-Dimensional Crystallographic Fourier Synthesis + * + */ + +#ifdef HAVE_CONFIG_H +#include <config.h> +#endif + +#ifndef REFINE_CGRAD_H +#define REFINE_CGRAD_H + +#include "model.h" +#include "reflist.h" +#include "refine.h" + +extern void refine_cgrad(AtomicModel *model, ReflectionList *reflections, RefinementSpec spec); + +#endif /* REFINE_CGRAD_H */ + |