xmol/algo/vector-correlation.h file

Contents

Namespaces

namespace xmol
Reworked original xmol.
namespace xmol::algo

Enums

enum class AutoCorrelationMode { NORMALIZE_VECTORS, NORMALIZE_AND_DIVIDE_BY_CUBE }

Functions

void calc_autocorr_order_2(const future::Span<geom::XYZ>& v, future::Span<double> result, const AutoCorrelationMode& mode = AutoCorrelationMode::NORMALIZE_VECTORS)