paralel[4band]greens_calculate_r_0xyz.py

#imports the common.py functions for the calculation of the Green's functions
from common import *

#calculates the Greens function one epslion at a time, necessary for the paralelization sript
def compute_gi_4band_for_eps(eps, rvec, r, lambd, Nq, t, m):
    temp_g0, temp_gx, temp_gy, temp_gz = (np.zeros(len(rvec), dtype=complex) for _ in range(4))
    for j, rj in enumerate(rvec):
        r_vec = rj * r
        g = Gi4band(r_vec, eps, lambd, Nq, t, m)
        temp_g0[j], temp_gx[j], temp_gy[j], temp_gz[j] = g
    return temp_g0, temp_gx, temp_gy, temp_gz

#calculates the matrix corresponding to the Green's function for the grid eps x r with ranges defined
#stores this matrix in a txt file 
def calculate_2d_4band_eps(lambd, axis="x", epsmin=-10, epsmax=0, Neps=301, rmax=10, Nr=301, Nq=101, t=1, m=1):
    epsvec = np.linspace(epsmin, epsmax, Neps)
    rvec = np.linspace(-rmax, rmax, Nr)
    # ... (rest of the function setup)
    direction_vectors = {"x": np.array((1, 0, 0)), "y": np.array((0, 1, 0)), "z": np.array((0, 0, 1)), "xy": np.array((1, 1, 0))}
    r = direction_vectors.get(axis, np.array((1, 0, 0)))

    g0 = np.zeros((Nr, Neps), dtype=complex)
    gx = np.zeros((Nr, Neps), dtype=complex)
    gy = np.zeros((Nr, Neps), dtype=complex)
    gz = np.zeros((Nr, Neps), dtype=complex)

    with ProcessPoolExecutor() as executor:
        futures = {executor.submit(compute_gi_4band_for_eps, eps, rvec, r, lambd, Nq, t, m): i for i, eps in enumerate(epsvec)}
        for future in as_completed(futures):
            i = futures[future]
            result = future.result()
            g0[:, i], gx[:, i], gy[:, i], gz[:, i] = result
            progress = (i + 1) / len(epsvec) * 100
            print(f"Progress: {progress:.2f}%")

    # Save the results in a single loop
    file_prefix = f"{axis}_lamb={lambd}_rmax={rmax}_Nr={Nr}_Neps={Neps}_Nq={Nq}_t={t}_m={m}_epslimits={epsmin}~{epsmax}"
    for g, suffix in zip([g0, gx, gy, gz], ['s0', 'sx', 'sy', 'sz']):
        filename = f'txt/[{suffix}][TRS]{file_prefix}.txt'
        np.savetxt(filename, g)

# ... (rest of the main function and if __name__ == '__main__': block)

def main():
    #calculate_2d_4band_eps(lambd=0.01,axis = "xy",epsmin = -1,epsmax=0, Neps = 100, rmax = 5, Nr = 500, Nq = 100, t=1, m=0.2)
    #calculate_2d_4band_eps(lambd=0.01,axis = "xy",epsmin = -2,epsmax=-1, Neps = 100, rmax = 5, Nr = 500, Nq = 100, t=1, m=0.2)
    calculate_2d_4band_eps(lambd=0.01,axis = "xy",epsmin = -3,epsmax=-2, Neps = 100, rmax = 5, Nr = 500, Nq = 100, t=1, m=0)
    calculate_2d_4band_eps(lambd=0.01,axis = "xy",epsmin = -4,epsmax=-3, Neps = 100, rmax = 5, Nr = 500, Nq = 100, t=1, m=0)
    calculate_2d_4band_eps(lambd=0.01,axis = "xy",epsmin = -5,epsmax=-4, Neps = 100, rmax = 5, Nr = 500, Nq = 100, t=1, m=0)
    
    
    
if __name__ == '__main__':
    main()