unconstrained.py 文件源码

def simulate_dynamic(self, n_step, dt, pos, mom, cache={}):
        mom = mom - 0.5 * dt * self.energy_grad(pos, cache)
        pos = pos + dt * la.cho_solve((self.mass_matrix_chol, True), mom)
        for s in range(1, n_step):
            mom -= dt * self.energy_grad(pos, cache)
            pos += dt * la.cho_solve((self.mass_matrix_chol, True), mom)
        mom -= 0.5 * dt * self.energy_grad(pos, cache)
        return pos, mom, None