1#ifndef PRDC_UNIT_CELL_TPP
2#define PRDC_UNIT_CELL_TPP
12#include <util/format/Dbl.h>
13#include <util/format/Int.h>
49 template <
class Archive,
int D>
51 const unsigned int version)
93 out <<
"crystal_system" << std::endl
94 <<
" " << cell.lattice_<< std::endl;
95 out <<
"N_cell_param" << std::endl
97 out <<
"cell_param " << std::endl;
bool isInitialized_
Has this unit cell been fully initialized?
FArray< double, 6 > parameters_
Parameters used to describe the unit cell.
void setLattice()
Compute all protected data, given latticeSystem and parameters.
int nParameter_
Number of parameters required to specify unit cell.
Base template for UnitCell<D> classes, D=1, 2 or 3.
Wrapper for a double precision number, for formatted ostream output.
#define UTIL_CHECK(condition)
Assertion macro suitable for serial or parallel production code.
void readUnitCellHeader(std::istream &in, UnitCell< D > &cell)
Read UnitCell<D> from a field file header (fortran PSCF format).
void writeUnitCellHeader(std::ostream &out, UnitCell< D > const &cell)
Write UnitCell<D> to a field file header (fortran PSCF format).
void serializeEnum(Archive &ar, T &data, const unsigned int version=0)
Serialize an enumeration value.
PSCF package top-level namespace.
Utility classes for scientific computation.
std::istream & operator>>(std::istream &in, Pair< Data > &pair)
Input a Pair from an istream.
std::ostream & operator<<(std::ostream &out, const Pair< Data > &pair)
Output a Pair to an ostream, without line breaks.