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irpjast/jastrow.irp.f

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677 B
FortranFixed
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program jastrow
implicit none
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print *, 'Number of electrons: ', nelec
print *, 'The total Jastrow factor'
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print *, jastrow_full
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print *, 'REF'
print *, factor_een_deriv_e_ref
print *, 'X'
print *, factor_een_deriv_e
print *, 'BLAS'
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print *, factor_een_deriv_e_blas(1:nelec,1:4)
print *, ''
print *, factor_een_deriv_e_ref(1:nelec,1) - factor_een_deriv_e_blas(1:nelec,1)
print *, factor_een_deriv_e_ref(1:nelec,2) - factor_een_deriv_e_blas(1:nelec,2)
print *, factor_een_deriv_e_ref(1:nelec,3) - factor_een_deriv_e_blas(1:nelec,3)
print *, factor_een_deriv_e_ref(1:nelec,4) - factor_een_deriv_e_blas(1:nelec,4)
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!PROVIDE jastrow_full
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end program