#include <occ/mults/multipole_source.h>
#include <occ/mults/short_range.h>
#include <occ/mults/force_field_params.h>
#include <occ/mults/cartesian_force.h>
#include <occ/mults/cutoff_spline.h>
#include <occ/mults/crystal_energy_setup.h>
#include <occ/crystal/crystal.h>
#include <occ/core/linear_algebra.h>
#include <map>
#include <memory>
#include <set>
#include <string>
#include <vector>

Include dependency graph for crystal_energy.h:

This graph shows which files directly or indirectly include this file:

Classes
struct	occ::mults::MoleculeState
	State of a rigid molecule (COM position + orientation). More...

struct	occ::mults::CrystalEnergyResult
	Result from crystal energy evaluation. More...

struct	occ::mults::CrystalEnergyResultWithHessian
	Result from crystal energy evaluation with Hessian. More...

struct	occ::mults::PairEnergyDebug

struct	occ::mults::NeighborPair
	Neighbor pair information for crystal energy computation. More...

class	occ::mults::CrystalEnergy
	Crystal energy evaluator for rigid molecule assemblies. More...

struct	occ::mults::CrystalEnergy::MoleculeGeometry
	Cached molecule geometry (atom positions in body frame). More...

struct	occ::mults::CrystalEnergy::MoleculeCache
	Cached per-molecule data to avoid redundant recomputation. More...

Namespaces
namespace	occ

namespace	occ::mults

Functions
const std::array< Mat3, 6 > &	occ::mults::voigt_basis_matrices ()

Classes

Namespaces

Functions