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optimize Jastrow for SCF wavefunction
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@ -200,10 +200,10 @@ if __name__ == '__main__':
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n_par = n_par + 1 # e-e parameter b
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n_par = n_par + 1 # e-e parameter b
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# !!!
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# !!!
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# x = get_params_pen()
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# x = get_params_pen()
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x = [1.59494479, 0.55766789]
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x = [1.29386006, 0.21362821]
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print(' initial pen: {}'.format(x))
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print(' initial pen: {}'.format(x))
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#b_par = get_params_b()
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#b_par = get_params_b()
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b_par = 1.4583754591319011
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b_par = 1.5291090863304375
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print(' initial b: {}'.format(b_par))
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print(' initial b: {}'.format(b_par))
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x.append(b_par)
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x.append(b_par)
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# !!!
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# !!!
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