

In [1]:

    
import os
import glob
import quantumpropagator as qp



In [2]:

    
fol = '/home/alessio/Desktop/d-projectExplorer/t-IR-to-excite-phi2_0000'
files = sorted(glob.glob(fol+"/Gau*"))

We watched this in blender and decided that the 59th file (at 73.75 fs) was the good one. We say excited here to intend excited in phi.



In [3]:

    
# number = 59
number = 48

wp_excited_file = qp.readWholeH5toDict(files[number])
wp_excited_file.keys(),wp_excited_file['Time']









    Out[3]:





(dict_keys(['Time', 'WF']), array([   59.9999937 ,  2480.48247455]))



In [4]:

    
new_wp_content = {}
new_wp_content['Time'] = wp_excited_file['Time']



In [5]:

    
new_wp_content









    Out[5]:





{'Time': array([   59.9999937 ,  2480.48247455])}



In [6]:

    
wp_excited = wp_excited_file['WF']
wp_excited.shape









    Out[6]:





(55, 56, 160, 1)



In [7]:

    
new_wf = np.zeros((55,56,160,8), dtype=complex)



In [8]:

    
state = 0
new_wf[:,:,:,state] = wp_excited[:,:,:,0]



In [9]:

    
new_wp_content['WF'] = new_wf



In [10]:

    
new_fn = '/home/alessio/Desktop/d-projectExplorer/t-IR-to-excite-phi2_0000/trythis_{}_S{}.h5'.format(number,state)



In [11]:

    
qp.writeH5fileDict(new_fn,new_wp_content)



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