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optimize Jastrow for SCF wavefunction

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Abdallah AMMAR 2021-04-27 02:48:03 +02:00
parent b007e3757f
commit 450eb7a3d0
1 changed files with 2 additions and 2 deletions
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src/opt_Jast/opt_jast_freegrad.py
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@ -200,10 +200,10 @@ if __name__ == '__main__':
n_par = n_par + 1 # e-e parameter b n_par = n_par + 1 # e-e parameter b
# !!! # !!!
# x = get_params_pen() # x = get_params_pen()
x = [1.59494479, 0.55766789] x = [1.29386006, 0.21362821]
print(' initial pen: {}'.format(x)) print(' initial pen: {}'.format(x))
#b_par = get_params_b() #b_par = get_params_b()
b_par = 1.4583754591319011 b_par = 1.5291090863304375
print(' initial b: {}'.format(b_par)) print(' initial b: {}'.format(b_par))
x.append(b_par) x.append(b_par)
# !!! # !!!