import numpy as np

from scipy.optimize import minimize

from subprocess import call

from termcolor import colored

import glob

prefix = "./inis/"

cnt = 0

def make_cfg(k):

with open(prefix + "example.cfg", "rt") as fin:

with open(prefix + "run.cfg", "wt") as fout:

for line in fin:

out_line = line.replace("%kx%", str(k[0]))

out_line = out_line.replace("%ky%", str(k[1]))

out_line = out_line.replace("%fphi%", str(k[2]))

out_line = out_line.replace("%ftheta%", str(k[3]))

fout.write(out_line)

def get_gap():

E = np.load("output/opti/band_E.npy")

# gap = np.max(E[1,:])

# print colored('max val = {}'.format(gap), 'green')

# return -gap

gap = np.min(E[2,:])

print colored('min val = {}'.format(gap), 'green')

return gap

def f(x):

make_cfg(x)

call(["./stb.x", "inis/run.cfg"])

print "x = {}".format(x)

return get_gap()

bnd =((None, None), #kx

(None, None), #ky

(-np.pi, np.pi),

(0.0, np.pi))

res = minimize(f, [0.1, 0.1, 0.3*np.pi, 0.2*np.pi], options={'disp': True}, bounds=bnd)

print "result: {}".format(res.x)