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https://github.com/paboyle/Grid.git
synced 2025-07-13 19:47:06 +01:00
Merge branch 'develop' into feature/gpu-port
This commit is contained in:
@ -41,19 +41,16 @@ public:
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GRID_SERIALIZABLE_CLASS_MEMBERS(IntegratorParameters,
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std::string, name, // name of the integrator
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unsigned int, MDsteps, // number of outer steps
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RealD, trajL, // trajectory length
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)
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RealD, trajL) // trajectory length
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IntegratorParameters(int MDsteps_ = 10, RealD trajL_ = 1.0)
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: MDsteps(MDsteps_),
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trajL(trajL_){
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// empty body constructor
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};
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trajL(trajL_) {};
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template <class ReaderClass, typename std::enable_if<isReader<ReaderClass>::value, int >::type = 0 >
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IntegratorParameters(ReaderClass & Reader){
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std::cout << "Reading integrator\n";
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IntegratorParameters(ReaderClass & Reader)
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{
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std::cout << GridLogMessage << "Reading integrator\n";
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read(Reader, "Integrator", *this);
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}
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@ -83,17 +80,18 @@ protected:
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const ActionSet<Field, RepresentationPolicy> as;
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void update_P(Field& U, int level, double ep) {
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void update_P(Field& U, int level, double ep)
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{
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t_P[level] += ep;
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update_P(P, U, level, ep);
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std::cout << GridLogIntegrator << "[" << level << "] P "
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<< " dt " << ep << " : t_P " << t_P[level] << std::endl;
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std::cout << GridLogIntegrator << "[" << level << "] P " << " dt " << ep << " : t_P " << t_P[level] << std::endl;
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}
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// to be used by the actionlevel class to iterate
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// over the representations
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struct _updateP {
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struct _updateP
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{
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template <class FieldType, class GF, class Repr>
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void operator()(std::vector<Action<FieldType>*> repr_set, Repr& Rep,
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GF& Mom, GF& U, double ep) {
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@ -104,7 +102,7 @@ protected:
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GF force = Rep.RtoFundamentalProject(forceR); // Ta for the fundamental rep
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Real force_abs = std::sqrt(norm2(force)/(U.Grid()->gSites()));
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std::cout << GridLogIntegrator << "Hirep Force average: " << force_abs << std::endl;
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Mom -= force * ep ;
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Mom -= force * ep* HMC_MOMENTUM_DENOMINATOR;;
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}
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}
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} update_P_hireps{};
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@ -128,18 +126,19 @@ protected:
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double end_force = usecond();
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Real force_abs = std::sqrt(norm2(force)/U.Grid()->gSites());
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std::cout << GridLogIntegrator << "["<<level<<"]["<<a<<"] Force average: " << force_abs << std::endl;
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Mom -= force * ep;
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Mom -= force * ep* HMC_MOMENTUM_DENOMINATOR;;
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double end_full = usecond();
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double time_full = (end_full - start_full) / 1e3;
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double time_force = (end_force - start_force) / 1e3;
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std::cout << GridLogIntegrator << "["<<level<<"]["<<a<<"] P update elapsed time: " << time_full << " ms (force: " << time_force << " ms)" << std::endl;
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std::cout << GridLogMessage << "["<<level<<"]["<<a<<"] P update elapsed time: " << time_full << " ms (force: " << time_force << " ms)" << std::endl;
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}
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// Force from the other representations
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as[level].apply(update_P_hireps, Representations, Mom, U, ep);
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}
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void update_U(Field& U, double ep) {
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void update_U(Field& U, double ep)
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{
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update_U(P, U, ep);
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t_U += ep;
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@ -147,7 +146,8 @@ protected:
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std::cout << GridLogIntegrator << " " << "[" << fl << "] U " << " dt " << ep << " : t_U " << t_U << std::endl;
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}
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void update_U(MomentaField& Mom, Field& U, double ep) {
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void update_U(MomentaField& Mom, Field& U, double ep)
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{
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// exponential of Mom*U in the gauge fields case
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FieldImplementation::update_field(Mom, U, ep);
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@ -169,7 +169,8 @@ public:
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P(grid),
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levels(Aset.size()),
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Smearer(Sm),
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Representations(grid) {
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Representations(grid)
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{
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t_P.resize(levels, 0.0);
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t_U = 0.0;
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// initialization of smearer delegated outside of Integrator
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@ -179,12 +180,14 @@ public:
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virtual std::string integrator_name() = 0;
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void print_parameters(){
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void print_parameters()
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{
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std::cout << GridLogMessage << "[Integrator] Name : "<< integrator_name() << std::endl;
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Params.print_parameters();
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}
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void print_actions(){
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void print_actions()
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{
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std::cout << GridLogMessage << ":::::::::::::::::::::::::::::::::::::::::" << std::endl;
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std::cout << GridLogMessage << "[Integrator] Action summary: "<<std::endl;
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for (int level = 0; level < as.size(); ++level) {
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@ -198,7 +201,8 @@ public:
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}
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void reverse_momenta(){
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void reverse_momenta()
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{
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P *= -1.0;
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}
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@ -217,7 +221,8 @@ public:
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} refresh_hireps{};
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// Initialization of momenta and actions
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void refresh(Field& U, GridParallelRNG& pRNG) {
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void refresh(Field& U, GridParallelRNG& pRNG)
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{
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assert(P.Grid() == U.Grid());
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std::cout << GridLogIntegrator << "Integrator refresh\n";
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@ -237,8 +242,7 @@ public:
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for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
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// get gauge field from the SmearingPolicy and
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// based on the boolean is_smeared in actionID
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Field& Us =
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Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
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Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
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as[level].actions.at(actionID)->refresh(Us, pRNG);
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}
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@ -251,13 +255,11 @@ public:
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// over the representations
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struct _S {
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template <class FieldType, class Repr>
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void operator()(std::vector<Action<FieldType>*> repr_set, Repr& Rep,
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int level, RealD& H) {
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void operator()(std::vector<Action<FieldType>*> repr_set, Repr& Rep, int level, RealD& H) {
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for (int a = 0; a < repr_set.size(); ++a) {
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RealD Hterm = repr_set.at(a)->S(Rep.U);
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std::cout << GridLogMessage << "S Level " << level << " term " << a
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<< " H Hirep = " << Hterm << std::endl;
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std::cout << GridLogMessage << "S Level " << level << " term " << a << " H Hirep = " << Hterm << std::endl;
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H += Hterm;
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}
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@ -265,22 +267,24 @@ public:
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} S_hireps{};
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// Calculate action
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RealD S(Field& U) { // here also U not used
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RealD S(Field& U)
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{ // here also U not used
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std::cout << GridLogIntegrator << "Integrator action\n";
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RealD H = - FieldImplementation::FieldSquareNorm(P)/HMC_MOMENTUM_DENOMINATOR; // - trace (P*P)/denom
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RealD H = - FieldImplementation::FieldSquareNorm(P); // - trace (P*P)
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RealD Hterm;
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std::cout << GridLogMessage << "Momentum action H_p = " << H << "\n";
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// Actions
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for (int level = 0; level < as.size(); ++level) {
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for (int actionID = 0; actionID < as[level].actions.size(); ++actionID) {
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// get gauge field from the SmearingPolicy and
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// based on the boolean is_smeared in actionID
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Field& Us =
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Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
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Field& Us = Smearer.get_U(as[level].actions.at(actionID)->is_smeared);
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std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] action eval " << std::endl;
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Hterm = as[level].actions.at(actionID)->S(Us);
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std::cout << GridLogMessage << "S Level " << level << " term "
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<< actionID << " H = " << Hterm << std::endl;
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std::cout << GridLogMessage << "S [" << level << "][" << actionID << "] H = " << Hterm << std::endl;
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H += Hterm;
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}
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as[level].apply(S_hireps, Representations, level, H);
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@ -289,7 +293,8 @@ public:
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return H;
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}
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void integrate(Field& U) {
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void integrate(Field& U)
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{
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// reset the clocks
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t_U = 0;
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for (int level = 0; level < as.size(); ++level) {
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@ -305,8 +310,7 @@ public:
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// Check the clocks all match on all levels
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for (int level = 0; level < as.size(); ++level) {
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assert(fabs(t_U - t_P[level]) < 1.0e-6); // must be the same
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std::cout << GridLogIntegrator << " times[" << level
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<< "]= " << t_P[level] << " " << t_U << std::endl;
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std::cout << GridLogIntegrator << " times[" << level << "]= " << t_P[level] << " " << t_U << std::endl;
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}
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// and that we indeed got to the end of the trajectory
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@ -26,15 +26,15 @@ with this program; if not, write to the Free Software Foundation, Inc.,
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See the full license in the file "LICENSE" in the top level distribution
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directory
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*************************************************************************************/
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/* END LEGAL */
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//--------------------------------------------------------------------
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/* END LEGAL */
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//--------------------------------------------------------------------
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/*! @file Integrator_algorithm.h
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* @brief Declaration of classes for the Molecular Dynamics algorithms
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*
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*/
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//--------------------------------------------------------------------
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/*! @file Integrator_algorithm.h
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* @brief Declaration of classes for the Molecular Dynamics algorithms
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*
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*/
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//--------------------------------------------------------------------
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#ifndef INTEGRATOR_ALG_INCLUDED
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#define INTEGRATOR_ALG_INCLUDED
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@ -92,22 +92,17 @@ NAMESPACE_BEGIN(Grid);
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* P 1/2 P 1/2
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*/
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template <class FieldImplementation, class SmearingPolicy,
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class RepresentationPolicy =
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Representations<FundamentalRepresentation> >
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class LeapFrog : public Integrator<FieldImplementation, SmearingPolicy,
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RepresentationPolicy> {
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template <class FieldImplementation, class SmearingPolicy, class RepresentationPolicy = Representations<FundamentalRepresentation> >
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class LeapFrog : public Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>
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{
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public:
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typedef LeapFrog<FieldImplementation, SmearingPolicy, RepresentationPolicy>
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Algorithm;
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typedef LeapFrog<FieldImplementation, SmearingPolicy, RepresentationPolicy> Algorithm;
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INHERIT_FIELD_TYPES(FieldImplementation);
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std::string integrator_name(){return "LeapFrog";}
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LeapFrog(GridBase* grid, IntegratorParameters Par,
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ActionSet<Field, RepresentationPolicy>& Aset, SmearingPolicy& Sm)
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: Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>(
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grid, Par, Aset, Sm){};
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LeapFrog(GridBase* grid, IntegratorParameters Par, ActionSet<Field, RepresentationPolicy>& Aset, SmearingPolicy& Sm)
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: Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>(grid, Par, Aset, Sm){};
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void step(Field& U, int level, int _first, int _last) {
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int fl = this->as.size() - 1;
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@ -140,21 +135,17 @@ public:
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}
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};
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template <class FieldImplementation, class SmearingPolicy,
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class RepresentationPolicy =
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Representations<FundamentalRepresentation> >
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class MinimumNorm2 : public Integrator<FieldImplementation, SmearingPolicy,
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RepresentationPolicy> {
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template <class FieldImplementation, class SmearingPolicy, class RepresentationPolicy = Representations<FundamentalRepresentation> >
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class MinimumNorm2 : public Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>
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{
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private:
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const RealD lambda = 0.1931833275037836;
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public:
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INHERIT_FIELD_TYPES(FieldImplementation);
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MinimumNorm2(GridBase* grid, IntegratorParameters Par,
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ActionSet<Field, RepresentationPolicy>& Aset, SmearingPolicy& Sm)
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: Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>(
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grid, Par, Aset, Sm){};
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MinimumNorm2(GridBase* grid, IntegratorParameters Par, ActionSet<Field, RepresentationPolicy>& Aset, SmearingPolicy& Sm)
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: Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>(grid, Par, Aset, Sm){};
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std::string integrator_name(){return "MininumNorm2";}
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@ -201,14 +192,11 @@ public:
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}
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};
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template <class FieldImplementation, class SmearingPolicy,
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class RepresentationPolicy =
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Representations<FundamentalRepresentation> >
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class ForceGradient : public Integrator<FieldImplementation, SmearingPolicy,
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RepresentationPolicy> {
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template <class FieldImplementation, class SmearingPolicy, class RepresentationPolicy = Representations<FundamentalRepresentation> >
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class ForceGradient : public Integrator<FieldImplementation, SmearingPolicy, RepresentationPolicy>
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{
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private:
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const RealD lambda = 1.0 / 6.0;
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;
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const RealD chi = 1.0 / 72.0;
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const RealD xi = 0.0;
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const RealD theta = 0.0;
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@ -230,8 +218,7 @@ public:
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Field Pfg(U.Grid());
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Ufg = U;
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Pfg = Zero();
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std::cout << GridLogIntegrator << "FG update " << fg_dt << " " << ep
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<< std::endl;
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std::cout << GridLogIntegrator << "FG update " << fg_dt << " " << ep << std::endl;
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// prepare_fg; no prediction/result cache for now
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// could relax CG stopping conditions for the
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// derivatives in the small step since the force gets multiplied by
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@ -270,8 +257,7 @@ public:
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this->step(U, level + 1, first_step, 0);
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}
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this->FG_update_P(U, level, 2 * Chi / ((1.0 - 2.0 * lambda) * eps),
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(1.0 - 2.0 * lambda) * eps);
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this->FG_update_P(U, level, 2 * Chi / ((1.0 - 2.0 * lambda) * eps), (1.0 - 2.0 * lambda) * eps);
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if (level == fl) { // lowest level
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this->update_U(U, 0.5 * eps);
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