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densityfittingamplitudelookup.cpp File Reference
#include "gmxpre.h"
#include "densityfittingamplitudelookup.h"
#include <algorithm>
#include <vector>
#include "gromacs/mdtypes/mdatom.h"
+ Include dependency graph for densityfittingamplitudelookup.cpp:

Description

Implements amplitude lookup for density fitting.

Author
Christian Blau blau@.nosp@m.kth..nosp@m.se