ewald_common.h File Reference

#include <occ/core/linear_algebra.h>
#include <vector>

Include dependency graph for ewald_common.h:

Namespaces
namespace	occ
namespace	occ::xtb

Functions
double	occ::xtb::auto_ewald_alpha (double volume_bohr3)
double	occ::xtb::ewald_real_cutoff (double alpha, double tol)
double	occ::xtb::ewald_recip_cutoff (double alpha, double tol)
std::vector< Vec3 >	occ::xtb::enumerate_g_vectors (const Mat3 &reciprocal_bohr, double recip_cutoff)