5#ifndef BALL_FORMAT_MOPACINPUTFILE_H
6#define BALL_FORMAT_MOPACINPUTFILE_H
8#ifndef BALL_COMMON_GLOBAL_H
12#ifndef BALL_FORMAT_GENERICMOLFILE_H
16#ifndef BALL_KERNEL_ATOMCONTAINER_H
20#ifndef BALL_DATATYPE_STRING_H
void writeAtoms_(const AtomContainer &ac)
String default_mopac_keywords_
virtual bool write(const Molecule &molecule)
MOPACInputFile(const String &filename, File::OpenMode open_mode=std::ios::in)
virtual ~MOPACInputFile()
void writeHeader_(const AtomContainer &ac)
virtual bool write(const System &system)
std::ios::openmode OpenMode