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qmmmoptions.h File Reference
#include "gromacs/mdtypes/imdpoptionprovider.h"
#include "qmmmtypes.h"
+ Include dependency graph for qmmmoptions.h:
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Description

Declares options for QM/MM QMMMOptions class responsible for all parameters set up during pre-processing also modificatios of topology would be done here.

Author
Dmitry Morozov dmitr.nosp@m.y.mo.nosp@m.rozov.nosp@m.@jyu.nosp@m..fi
Christian Blau blau@.nosp@m.kth..nosp@m.se

Classes

class  gmx::QMMMOptions
 Input data storage for QM/MM. More...
 

Variables

static const std::string gmx::c_qmmmCP2KModuleName = "qmmm-cp2k"
 Tag with name of the QMMM with CP2K MDModule.