dynamics.h

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#ifndef DYNAMICS_H 
#define DYNAMICS_H 


#include <jwsc/config.h>

#include <stdlib.h>
#include <inttypes.h>

#include "jwsc/base/error.h"
#include "jwsc/vector/vector.h"
#include "jwsc/matrix/matrix.h"


#ifdef __cplusplus
namespace jwsc {
extern "C" {
#endif


Error* stochastic_dynamics_1_d
(
    uint32_t iterations,
    double   delta_t,
    double   alpha,
    uint32_t kick,
    void*    params,
    void     (*get_pt_from_params)(Vector_d** p_out, const void* params),
    Error*   (*grad_energy_func)(Vector_d** grad_out, void* params),
    Error*   (*accept_sample)(const Vector_d* sample, const Vector_d* momenta, void* params)
);


Error* stochastic_dynamics_2_d
(
    uint32_t        iterations,
    const Vector_d* delta_t,
    double          alpha,
    uint32_t        kick,
    void*           params,
    void            (*get_pt_from_params)(Vector_d** p_out, const void* params),
    Error*          (*grad_energy_func)(Vector_d** grad_out, void* params),
    Error*          (*accept_sample)(const Vector_d* sample, const Vector_d* momenta, void* params)
);

Error* hybrid_monte_carlo_1_d
(
    uint32_t iterations,
    uint32_t leap_itera,
    double   delta_t,
    double   alpha,
    uint32_t kick,
    void*    params,
    void     (*get_pt_from_params)(Vector_d** p_out, const void* params),
    Error*   (*set_params_from_pt)(const Vector_d* p, void* params),
    Error*   (*energy_func)(double* energy_out, void* params),
    Error*   (*grad_energy_func)(Vector_d** grad_out, void* params),
    Error*   (*accept_sample)(const Vector_d* sample, const Vector_d* momenta, void* params),
    Error*   (*reject_sample)(const Vector_d* sample, const Vector_d* momenta, void* params)
);

Error* hybrid_monte_carlo_2_d
(
    uint32_t        iterations,
    uint32_t        leap_itera,
    const Vector_d* delta_t,
    double          alpha,
    uint32_t        kick,
    void*           params,
    void            (*get_pt_from_params)(Vector_d** p_out, const void* params),
    Error*          (*set_params_from_pt)(const Vector_d* p, void* params),
    Error*          (*energy_func)(double* energy_out, void* params),
    Error*          (*grad_energy_func)(Vector_d** grad_out, void* params),
    Error*          (*accept_sample)(const Vector_d* sample, const Vector_d* momenta, void* params),
    Error*          (*reject_sample)(const Vector_d* sample, const Vector_d* momenta, void* params)
);

Error* langevin_1_f
(
    uint32_t iterations,
    float    delta_t,
    void*    params,
    void     (*get_pt_from_params)(Vector_f** p_out, const void* params),
    Error*   (*grad_energy_func)(Vector_f** grad_out, void* params),
    Error*   (*accept_sample)(const Vector_f* sample, void* params)
);

Error* langevin_2_f
(
    uint32_t        iterations,
    const Vector_f* delta_t,
    void*           params,
    void            (*get_pt_from_params)(Vector_f** p_out, const void* params),
    Error*          (*grad_energy_func)(Vector_f** grad_out, void* params),
    Error*          (*accept_sample)(const Vector_f* sample, void* params)
);

Error* langevin_1_d
(
    uint32_t iterations,
    double   delta_t,
    void*    params,
    void     (*get_pt_from_params)(Vector_d** p_out, const void* params),
    Error*   (*grad_energy_func)(Vector_d** grad_out, void* params),
    Error*   (*accept_sample)(const Vector_d* sample, void* params)
);

Error* langevin_2_d
(
    uint32_t        iterations,
    const Vector_d* delta_t,
    void*           params,
    void            (*get_pt_from_params)(Vector_d** p_out, const void* params),
    Error*          (*grad_energy_func)(Vector_d** grad_out, void* params),
    Error*          (*accept_sample)(const Vector_d* sample, void* params)
);

Error* langevin_hyperdynamics_1_f
(
    uint32_t iterations,
    float    delta_t,
    float    gamma,
    float    eta,
    float    h,
    float    d,
    void*    params,
    void     (*get_pt_from_params)(Vector_f** p_out, const void* params),
    Error*   (*set_params_from_pt)(const Vector_f* p, void* params),
    Error*   (*energy_func)(float* energy_out, void* params),
    Error*   (*grad_energy_func)(Vector_f** grad_out, void* params),
    Error*   (*accept_sample)(const Vector_f* sample, void* params, float energy_bias)
);

Error* langevin_hyperdynamics_2_f
(
    uint32_t        iterations,
    const Vector_f* init_delta_t,
    float           gamma,
    float           eta,
    float           h,
    float           d,
    void*           params,
    void            (*get_pt_from_params)(Vector_f** p_out, const void* params),
    Error*          (*set_params_from_pt)(const Vector_f* p, void* params),
    Error*          (*energy_func)(float* energy_out, void* params),
    Error*          (*grad_energy_func)(Vector_f** grad_out, void* params),
    Error*          (*accept_sample)(const Vector_f* sample, void* params, float energy_bias)
);

Error* langevin_hyperdynamics_1_d
(
    uint32_t iterations,
    double   delta_t,
    double   gamma,
    double   eta,
    double   h,
    double   d,
    void*    params,
    void     (*get_pt_from_params)(Vector_d** p_out, const void* params),
    Error*   (*set_params_from_pt)(const Vector_d* p, void* params),
    Error*   (*energy_func)(double* energy_out, void* params),
    Error*   (*grad_energy_func)(Vector_d** grad_out, void* params),
    Error*   (*accept_sample)(const Vector_d* sample, void* params, double energy_bias)
);

Error* langevin_hyperdynamics_2_d
(
    uint32_t        iterations,
    const Vector_d* init_delta_t,
    double          gamma,
    double          eta,
    double          h,
    double          d,
    void*           params,
    void            (*get_pt_from_params)(Vector_d** p_out, const void* params),
    Error*          (*set_params_from_pt)(const Vector_d* p, void* params),
    Error*          (*energy_func)(double* energy_out, void* params),
    Error*          (*grad_energy_func)(Vector_d** grad_out, void* params),
    Error*          (*accept_sample)(const Vector_d* sample, void* params, double energy_bias)
);

#ifdef __cplusplus
}
}
#endif


#endif