struct topoparam::LayerStackΒΆ

CHILL+ cubic/hexagonal molecules binned into basal layers along axis (0=x, 1=y, 2=z). phiC is N_Ic / (N_Ic + N_Ih). sequence is one character per layer: C cubic-majority, H hexagonal-majority, M a tie with ice present, . empty.

#include <order_parameter.hpp>
 
struct LayerStack {
    // fields
 
    double phiC = 0.0;
    std::string sequence;
    std::vector<int> cubicPerLayer;
    std::vector<int> hexPerLayer;
};