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fixed bug in tc-env

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This commit is contained in:
AbdAmmar 2023-04-28 10:21:58 +02:00
parent ff66fe8d26
commit 8b67dfbe76
1 changed files with 6 additions and 6 deletions
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12
src/non_h_ints_mu/jast_deriv.irp.f
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@ -272,9 +272,9 @@ subroutine grad1_j1b_nucl(r, grad)
fact_z += e * z fact_z += e * z
enddo enddo
grad(1) = -2.d0 * fact_x grad(1) = 2.d0 * fact_x
grad(2) = -2.d0 * fact_y grad(2) = 2.d0 * fact_y
grad(3) = -2.d0 * fact_z grad(3) = 2.d0 * fact_z
else if(j1b_type .eq. 105) then else if(j1b_type .eq. 105) then
@ -294,9 +294,9 @@ subroutine grad1_j1b_nucl(r, grad)
fact_z += e * z fact_z += e * z
enddo enddo
grad(1) = -4.d0 * fact_x grad(1) = 4.d0 * fact_x
grad(2) = -4.d0 * fact_y grad(2) = 4.d0 * fact_y
grad(3) = -4.d0 * fact_z grad(3) = 4.d0 * fact_z
else else