/**
 * MolecularDynamicsSolver — Classical molecular dynamics with Lennard-Jones potential.
 *
 * ## Governing Equations
 *
 *   F_i = -∇V(r_i)
 *   m_i · a_i = F_i
 *
 * ## Potential
 *
 *   V_LJ(r) = 4ε[(σ/r)¹² - (σ/r)⁶] - V_LJ(r_c),  cutoff at r_c = 2.5σ
 *
 * The standard shifted potential (subtract V_LJ(r_c) for r < r_c) ensures
 * energy continuity at the cutoff, improving NVE conservation.
 *
 * ## Integration: Velocity Verlet (symplectic, time-reversible)
 *
 *   v(t + dt/2) = v(t) + F(t)/(2m) · dt
 *   x(t + dt)   = x(t) + v(t + dt/2) · dt
 *   compute F(t + dt)
 *   v(t + dt)   = v(t + dt/2) + F(t + dt)/(2m) · dt
 *
 * ## Boundary Conditions
 *
 *   Periodic in all 3 dimensions (minimum image convention for force evaluation)
 *
 * ## Thermostat
 *
 *   Berendsen velocity rescaling: λ = √(1 + dt/τ · (T_target/T_current - 1))
 *
 * @see SimSolver — generic interface
 */
export interface MDConfig {
    /** Number of particles */
    particleCount: number;
    /** Simulation box size [Lx, Ly, Lz] in reduced units (σ) */
    boxSize: [number, number, number];
    /** LJ well depth ε (default: 1.0 in reduced units) */
    epsilon?: number;
    /** LJ diameter σ (default: 1.0 in reduced units) */
    sigma?: number;
    /** Particle mass (default: 1.0 in reduced units) */
    mass?: number;
    /** Cutoff distance in units of σ (default: 2.5) */
    cutoff?: number;
    /** Target temperature (reduced units, default: 1.0) */
    temperature?: number;
    /** Berendsen coupling time τ (default: 0.5, set 0 for NVE) */
    thermostatTau?: number;
    /** Initial arrangement: 'fcc' lattice or 'random' */
    initialConfig?: 'fcc' | 'random';
}
export interface MDStats {
    currentTime: number;
    stepCount: number;
    kineticEnergy: number;
    potentialEnergy: number;
    totalEnergy: number;
    temperature: number;
    pressure: number;
}
export declare class MolecularDynamicsSolver {
    private N;
    private box;
    private eps;
    private sig;
    private mass;
    private rc;
    private rc2;
    /** Energy shift V(r_c) so the potential is continuous at the cutoff. */
    private vShift;
    private targetTemp;
    private thermostatTau;
    readonly positions: Float64Array;
    readonly velocities: Float64Array;
    private forces;
    private potentialEnergy;
    private virial;
    private currentTime;
    private stepCount;
    constructor(config: MDConfig);
    /** Velocity Verlet integration step. */
    step(dt: number): void;
    /** Compute all pairwise LJ forces. O(N²) — fine for N < 10000. */
    private computeForces;
    /** Wrap positions into periodic box. */
    private applyPBC;
    /** Berendsen thermostat: rescale velocities toward target temperature. */
    private berendsenThermostat;
    /** Initialize positions on FCC lattice. */
    private initFCC;
    private initRandom;
    /** Maxwell-Boltzmann velocity initialization. */
    private initVelocities;
    private computeTemperature;
    /** Translational degrees of freedom: 3(N−1) after CM-momentum removal. */
    private degreesOfFreedom;
    getPositions(): Float64Array;
    getVelocities(): Float64Array;
    getStats(): MDStats;
    dispose(): void;
}
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