import numpy as np from util.helper import plot_energy_2d, plot_energy_3d plot_energy_2d('neb_nanodisk_d50nm_k1e10') plot_energy_3d('neb_nanodisk_d50nm_k1e10')
""" n=20 for i in range(1,n): theta = i*np.pi/n mx = -np.cos(theta) my = np.sin(theta) init_images.append((mx,my,0)) """ # init_images.append(np.load('m_final.npy')) init_images = [(-1, 0, 0), init_dw, (1, 0, 0)] neb = NEB_Sundials( sim, init_images, interpolations=[6, 6], name='neb', spring=1e8) # neb.add_noise(0.1) neb.relax(dt=1e-8, max_steps=5000, save_vtk_steps=500, save_npy_steps=500, stopping_dmdt=100) if __name__ == "__main__": mesh = CuboidMesh(nx=160, ny=1, nz=1, dx=4.0, dy=4.0, dz=4.0, unit_length=1e-9) sim = create_simulation(mesh) # relax_two_state(mesh) relax_system(sim) plot_energy_2d('neb') plot_energy_3d('neb')