1 #ifndef TOOLS_CHAIN_MAKER_H 2 #define TOOLS_CHAIN_MAKER_H 4 #include <simp/interaction/bond/HarmonicBond.h> 5 #include <simp/boundary/Boundary.h> 6 #include <util/param/ParamComposite.h> 7 #include <util/random/Random.h> 8 #include <util/containers/DArray.h> 39 void readParam(std::istream& in);
44 void writeChains(std::ostream& out);
49 void writeChainsMcMd(std::ostream& out);
54 void writeChainsDdMd(std::ostream& out);
59 void writeChainsDdMdMole(std::ostream& out);
66 int nAtomPerMolecule_;
68 std::string outputStyle_;
An orthorhombic periodic unit cell.
Classes used by all simpatico molecular simulations.
Utility classes for scientific computation.
A harmonic covalent bond potential.
An object that can read multiple parameters from file.