def action(): import os import pickle if os.path.exists('var.pkl'): with open('var.pkl', 'rb') as f: return pickle.load(f) if os.path.exists('input.fdf'): soft = 'tdap' elif os.path.exists('input.in'): soft = 'tdpw' input = 'input.in' output = 'result' elif os.path.exists('tdap.in'): soft = 'tdpw' input = 'tdap.in' output = 'tdap.out' if soft == 'tdap': from py3ramids.io.SIESTA_interface import TdapVarible var = TdapVarible() else: from py3ramids.io.ESPRESSO_interface import TdpwVarible var = TdpwVarible(inputFile=input, outputFile=output) with open('var.pkl', 'wb') as f: pickle.dump(var, f) return var
ax[0], ylabel='Re $\epsilon$ (a.u.)', xlabel='Energy (eV)', ylimits=[-0.02, 0.02], #xlimits=[0,10] ) if __name__ == '__main__': import os if os.path.exists('input.fdf'): soft = 'tdap' elif os.path.exists('input.in'): soft = 'tdpw' if soft == 'tdap': from py3ramids.io.SIESTA_interface import TdapVarible var = TdapVarible() else: from py3ramids.io.ESPRESSO_interface import TdpwVarible var = TdpwVarible() import matplotlib.pyplot as plt fig, ax = plt.subplots(2, 1, figsize=(8, 8), sharex=True) plot(ax, var) plt.tight_layout() SaveName = __file__.split('/')[-1].split('.')[0] plt.savefig(SaveName + '.pdf')