CASM  1.1.0
A Clusters Approach to Statistical Mechanics
Configuration_stream_io.cc
Go to the documentation of this file.
1 #include "casm/clex/io/stream/Configuration_stream_io.hh"
2 
3 #include "casm/clex/Configuration.hh"
4 #include "casm/clex/SimpleStructureTools.hh"
5 #include "casm/crystallography/io/VaspIO.hh"
6 
7 namespace CASM {
8 
9 void print_poscar(Configuration const &configuration, std::ostream &sout) {
10  VaspIO::PrintPOSCAR p{make_simple_structure(configuration),
11  configuration.name()};
12  p.sort();
13  p.print(sout);
14 }
15 
16 } // namespace CASM
Configuration_stream_io.hh
CASM::VaspIO::PrintPOSCAR
Print POSCAR with formating options.
Definition: VaspIO.hh:40
CASM
Main CASM namespace.
Definition: APICommand.hh:8
CASM::make_simple_structure
xtal::SimpleStructure make_simple_structure(Supercell const &_scel, ConfigDoF const &_dof, std::vector< DoFKey > const &_which_dofs={})
Construct from ConfigDoF _dof belonging to provided Supercell _scel.
Definition: SimpleStructureTools.cc:26
CASM::print_poscar
void print_poscar(Configuration const &configuration, std::ostream &sout)
Definition: Configuration_stream_io.cc:9