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author | Jaron Kent-Dobias <jaron@kent-dobias.com> | 2021-06-24 10:26:33 +0200 |
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committer | Jaron Kent-Dobias <jaron@kent-dobias.com> | 2021-06-24 10:26:33 +0200 |
commit | 3c02310b3aced22ebe0fdd172cf3070f8a49d412 (patch) | |
tree | b0cb4ab73de841dcf83e4cfd4ed5ee554c649ab2 | |
parent | 7548abd44c37d4495dd498193ea15b0df757b904 (diff) | |
download | lattice_glass-3c02310b3aced22ebe0fdd172cf3070f8a49d412.tar.gz lattice_glass-3c02310b3aced22ebe0fdd172cf3070f8a49d412.tar.bz2 lattice_glass-3c02310b3aced22ebe0fdd172cf3070f8a49d412.zip |
Added new model.
-rw-r--r-- | distinguishable.cpp | 497 |
1 files changed, 497 insertions, 0 deletions
diff --git a/distinguishable.cpp b/distinguishable.cpp new file mode 100644 index 0000000..d9f51ea --- /dev/null +++ b/distinguishable.cpp @@ -0,0 +1,497 @@ +#include <eigen3/Eigen/Dense> +#include <eigen3/Eigen/src/Core/CwiseNullaryOp.h> +#include <iostream> +#include <list> +#include <vector> +#include <queue> + +#include "pcg-cpp/include/pcg_random.hpp" +#include "randutils/randutils.hpp" + +using Rng = randutils::random_generator<pcg32>; + +template <int D> using Vector = Eigen::Matrix<int, D, 1>; +template <int D> using Matrix = Eigen::Matrix<int, D, D>; + +int iPow(int x, unsigned p) { + if (p == 0) + return 1; + if (p == 1) + return x; + + int tmp = iPow(x, p / 2); + if (p % 2 == 0) + return tmp * tmp; + else + return x * tmp * tmp; +} + +unsigned mod(signed a, unsigned b) { + return ((a < 0) ? (a + (1 - a / (signed)b) * b) : a) % b; +} + +template <int D, typename Derived> Vector<D> mod(const Eigen::MatrixBase<Derived>& v, unsigned b) { + Vector<D> u; + for (unsigned i = 0; i < D; i++) { + u(i) = mod(v(i), b); + } + return u; +} + +template <int D> void one_sequences(std::list<std::array<double, D>>& sequences, unsigned level) { + if (level > 0) { + unsigned new_level = level - 1; + unsigned old_length = sequences.size(); + for (std::array<double, D>& sequence : sequences) { + std::array<double, D> new_sequence = sequence; + new_sequence[new_level] = -1; + sequences.push_front(new_sequence); + } + one_sequences<D>(sequences, new_level); + } +} + +template <unsigned D> std::vector<Matrix<D>> generateTorusMatrices() { + std::vector<Matrix<D>> mats; + + std::array<double, D> ini_sequence; + ini_sequence.fill(1); + std::list<std::array<double, D>> sequences; + sequences.push_back(ini_sequence); + + one_sequences<D>(sequences, D); + + sequences.pop_back(); // don't want the identity matrix! + + for (std::array<double, D> sequence : sequences) { + Matrix<D> m; + for (unsigned i = 0; i < D; i++) { + for (unsigned j = 0; j < D; j++) { + if (i == j) { + m(i, j) = sequence[i]; + } else { + m(i, j) = 0; + } + } + } + + mats.push_back(m); + } + + for (unsigned i = 0; i < D; i++) { + for (unsigned j = 0; j < D; j++) { + if (i != j) { + Matrix<D> m; + for (unsigned k = 0; k < D; k++) { + for (unsigned l = 0; l < D; l++) { + if ((k == i && l == j) || (k == j && l == i)) { + if (i < j) { + m(k, l) = 1; + } else { + m(k, l) = -1; + } + } else if (k == l && (k != i && k != j)) { + m(k, l) = 1; + } else { + m(k, l) = 0; + } + } + } + mats.push_back(m); + } + } + } + + return mats; +} + +class State { +public: + unsigned type; + + State() { + type = 0; + } + + State(unsigned t) { + type = t; + } + + bool isEmpty() const { return type == 0; } + + void remove() { type = 0; } +}; + +template <unsigned D> class Transformation { + public: + unsigned L; + Matrix<D> m; + Vector<D> v; + + Transformation(unsigned L) : L(L) { + m.setIdentity(); + v.setZero(); + } + + Transformation(unsigned L, const Matrix<D>& m, const Vector<D>& v) : L(L), m(m), v(v) {} + + Transformation(unsigned L, const std::vector<Matrix<D>>& ms, Rng& r) : m(r.pick(ms)), L(L) { + for (unsigned i = 0; i < D; i++) { + v[i] = r.uniform((unsigned)0, L - 1); + } + + v = v - m * v; + } + + Vector<D> apply(const Vector<D>& x) const { + return mod<D>(v + m * x, L); + } + + Transformation<D> apply(const Transformation<D>& t) const { + Transformation<D> tNew(L); + + tNew.m = m * t.m; + tNew.v = apply(t.v); + + return tNew; + } + + Transformation<D> inverse() const { + return Transformation<D>(L, m.transpose(), -m.transpose() * v); + } +}; + +template <unsigned D> class HalfEdge; + +template <unsigned D> class Vertex { +public: + Vector<D> position; + Vector<D> initialPosition; + State state; + std::vector<HalfEdge<D>> adjacentEdges; + bool marked; + + bool isEmpty() const { return state.isEmpty(); } +}; + +template <unsigned D> class HalfEdge { +public: + Vertex<D>& neighbor; + Vector<D> Δx; + + HalfEdge(Vertex<D>& n, const Vector<D>& d) : neighbor(n), Δx(d) {} +}; + +template <unsigned D> class System { +public: + const unsigned L; + unsigned N; + std::vector<Vertex<D>> vertices; + std::vector<double> interaction; + + unsigned vectorToIndex(const Vector<D>& x) const { + unsigned i = 0; + for (unsigned d = 0; d < D; d++) { + i += x[d] * iPow(L, d); + } + return i; + } + + Vector<D> indexToVector(unsigned i) const { + Vector<D> x; + for (unsigned d = 0; d < D; d++) { + x[d] = (i / iPow(L, d)) % L; + } + return x; + } + + System(unsigned L, unsigned N, Rng& r) : L(L), N(N), vertices(iPow(L, D)), interaction(N * N) { + for (unsigned i = 0; i < iPow(L, D); i++) { + vertices[i].position = indexToVector(i); + vertices[i].initialPosition = vertices[i].position; + vertices[i].adjacentEdges.reserve(2 * D); + vertices[i].marked = false; + } + + for (unsigned d = 0; d < D; d++) { + Vector<D> Δx = Vector<D>::Zero(); + Δx[d] = 1; + for (signed i = 0; i < iPow(L, D); i++) { + unsigned j = iPow(L, d + 1) * (i / iPow(L, d + 1)) + mod(i + iPow(L, d), pow(L, d + 1)); + vertices[i].adjacentEdges.push_back(HalfEdge<D>(vertices[j], Δx)); + vertices[j].adjacentEdges.push_back(HalfEdge<D>(vertices[i], -Δx)); + } + } + + for (double& V : interaction) { + V = r.uniform(-0.5, 0.5); + } + + for (unsigned i = 0; i < N; i++) { + vertices[i].state.type = i + 1; + } + } + + double pairEnergy(const State& s1, const State& s2) const { + if (s1.isEmpty() || s2.isEmpty()) { + return 0; + } else { + if (s1.type < s2.type) { + return interaction[(s1.type - 1) * N + (s2.type - 1)]; + } else { + return interaction[(s2.type - 1) * N + (s1.type - 1)]; + } + } + } + + double siteEnergy(const Vertex<D>& v) const { + double E = 0; + + for (const HalfEdge<D>& e : v.adjacentEdges) { + E += pairEnergy(v.state, e.neighbor.state); + } + + return E; + } + + double energy() const { + double E = 0; + + for (const Vertex<D>& v : vertices) { + E += siteEnergy(v); + } + + return E / 2; + } + + bool trySwap(Vertex<D>& v1, Vertex<D>& v2, double T, Rng& r) { + double E0 = siteEnergy(v1) + siteEnergy(v2); + std::swap(v1.state, v2.state); + double E1 = siteEnergy(v1) + siteEnergy(v2); + double ΔE = E1 - E0; + + if (exp(-ΔE / T) > r.uniform(0.0, 1.0)) { + /* Accept the swap. */ + std::swap(v1.initialPosition, v2.initialPosition); + return true; + } else { + /* Revert the swap. */ + std::swap(v1.state, v2.state); + return false; + } + } + + bool tryRandomMove(double T, Rng& r) { + Vertex<D>& v1 = r.pick(vertices); + + if (v1.isEmpty()) { + return false; + } + + Vertex<D>& v2 = (r.pick(v1.adjacentEdges)).neighbor; + + if (!v2.isEmpty()) { + return false; + } + + return trySwap(v1, v2, T, r); + } + + bool tryRandomSwap(double T, Rng& r) { + Vertex<D>& v1 = r.pick(vertices); + Vertex<D>& v2 = r.pick(vertices); + + if (v1.state.type != v2.state.type) { + return trySwap(v1, v2, T, r); + } else { + return false; + } + } + + double density() const { return N / pow(L, D); } + + void sweepLocal(Rng& r) { + for (unsigned i = 0; i < iPow(L, D); i++) { + tryRandomMove(r); + } + } + + void sweepSwap(Rng& r) { + for (unsigned i = 0; i < iPow(L, D); i++) { + tryRandomSwap(r); + } + } + + unsigned flipCluster(const Transformation<D>& R, Vertex<D>& v0, double T, Rng& r, bool dry = false) { + std::queue<std::array<std::reference_wrapper<Vertex<D>>, 2>> q; + Vector<D> x0New = R.apply(v0.position); + Vertex<D>& v0New = vertices[vectorToIndex(x0New)]; + q.push({v0, v0New}); + + unsigned n = 0; + + while (!q.empty()) { + auto [vR, vNewR] = q.front(); + q.pop(); + + Vertex<D>& v = vR; + Vertex<D>& vNew = vNewR; + + if (!v.marked && !vNew.marked) { + v.marked = true; + vNew.marked = true; + + for (HalfEdge<D>& e : v.adjacentEdges) { + Vertex<D>& vn = e.neighbor; + + Vector<D> xnNew = R.apply(vn.position); + Vertex<D>& vnNew = vertices[vectorToIndex(xnNew)]; + + if (!vn.marked && !vnNew.marked) { + double E0 = pairEnergy(v.state, vn.state) + pairEnergy(vNew.state, vnNew.state); + double E1 = pairEnergy(vNew.state, vn.state) + pairEnergy(v.state, vnNew.state); + double ΔE = E1 - E0; + + if (exp(-ΔE / T) < r.uniform(0.0, 1.0)) { + q.push({vn, vnNew}); + } + } + } + + if (!dry) { + std::swap(v.state, vNew.state); + std::swap(v.initialPosition, vNew.initialPosition); + } + + n += 1; + } + } + + return n; + } + + unsigned wolff(const Transformation<D>& R, double T, Rng& r) { + unsigned n = flipCluster(R, r.pick(vertices), T, r); + for (Vertex<D>& v : vertices) { + v.marked = false; + } + return n; + } + + void swendsenWang(const Transformation<D>& R, double T, Rng& r) { + for (Vertex<D>& v : vertices) { + if (!v.marked) { + bool dry = 0.5 < r.uniform(0.0, 1.0); + flipCluster(R, v, T, r, dry); + } + } + + for (Vertex<D>& v : vertices) { + v.marked = false; + } + } + + int overlap(const System<D>& s) const { + int o = 0; + + for (unsigned i = 0; i < vertices.size(); i++) { +// State<D> s2 = orientation.apply(s.vertices[vectorToIndex(orientation.inverse().apply(indexToVector(i)))].state); + // o += vertices[i].state.dot(s2); + } + + return o; + } + + void setInitialPosition() { + for (Vertex<D>& v: vertices) { + v.initialPosition = v.position; + } + } + + double selfIntermediateScattering() const { + double F = 0; + + Vector<D> k1 = {M_PI, 0}; + Vector<D> k2 = {0, M_PI}; + for (const Vertex<D>& v : vertices) { + if (!v.isEmpty()) { + F += cos(k1.dot(v.position - v.initialPosition)); + F += cos(k2.dot(v.position - v.initialPosition)); + } + } + + return F / (2 * N); + } +}; + +template <unsigned D> Vector<D> randomVector(unsigned L, Rng& r) { + Vector<D> x; + for (unsigned i = 0; i < D; i++) { + x[i] = r.uniform((unsigned)0, L - 1); + } + return x; +} + +int main() { + const unsigned D = 2; + unsigned L = 40; + unsigned N = 1560; + double Tmin = 0; + double Tmax = 0.4; + double δT = 0.02; + + Rng r; + + System<D> s(L, N, r); + + std::vector<Matrix<D>> ms = generateTorusMatrices<D>(); + + for (unsigned j = 0; j < 10 * s.vertices.size(); j++) { + //unsigned nC = s.wolff(Transformation<D>(L, m, v.position - m * v.position), T, r); + s.tryRandomSwap(1000, r); + } + + for (unsigned i = 0; i < 1e5; i++) { + for (unsigned j = 0; j < s.vertices.size(); j++) { + s.tryRandomMove(Tmax, r); + } + } + + unsigned n = 1; + for (double T = Tmax; T > Tmin; T -= δT) { + + /* + for (unsigned i = 0; i < 1e5; i++) { + Matrix<D> m = r.pick(ms); + Vertex<D>& v = r.pick(s.vertices); + s.wolff(Transformation<D>(L, m, v.position - m * v.position), T, r); + } + */ + /* + */ + s.setInitialPosition(); + std::cout << T << " "; + for (unsigned i = 0; i < 1e4; i++) { + Matrix<D> m = r.pick(ms); + Vertex<D>& v = r.pick(s.vertices); + s.wolff(Transformation<D>(L, m, v.position - m * v.position), T, r); + std::cout << s.selfIntermediateScattering() << " "; + } + /* + for (unsigned i = 0; i < 1e5; i++) { + for (unsigned j = 0; j < s.vertices.size(); j++) { + s.tryRandomMove(T, r); + } + std::cout << s.selfIntermediateScattering() << " "; + } + */ + std::cout << std::endl; + std::cerr << T << " " << s.energy() / N << std::endl; +// s.sweepLocal(r); +// s.sweepSwap(r); +// s.swendsenWang(Transformation<D>(L, ms, r), r); + } + + return 0; +} + |