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@ -84,7 +84,7 @@ BEGIN_PROVIDER [ real, jast_pen, (nucl_num) ]
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! penetration parameters of the Jastrow
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! penetration parameters of the Jastrow
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END_DOC
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END_DOC
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include '../types.F'
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include '../types.F'
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jast_pen(:) = 0.
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jast_pen(:) = 0.5
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call get_jastrow_jast_pen(jast_pen)
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call get_jastrow_jast_pen(jast_pen)
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END_PROVIDER
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END_PROVIDER
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@ -257,6 +257,7 @@ BEGIN_PROVIDER [ double precision, E_loc ]
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! delta_e = E_loc-E_ref
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! delta_e = E_loc-E_ref
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! E_loc = E_ref + erf(delta_e*time_step_sq)/time_step_sq
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! E_loc = E_ref + erf(delta_e*time_step_sq)/time_step_sq
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E_loc = max(2.d0*E_ref, E_loc)
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E_loc = max(2.d0*E_ref, E_loc)
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! continue
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endif
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endif
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E_loc_min = min(E_loc,E_loc_min)
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E_loc_min = min(E_loc,E_loc_min)
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E_loc_max = max(E_loc,E_loc_max)
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E_loc_max = max(E_loc,E_loc_max)
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