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Removed extra MRCC iteration

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Anthony Scemama 2016-03-31 11:51:25 +02:00
parent af3038f995
commit 39d4186d28
1 changed files with 0 additions and 1 deletions
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plugins/MRCC_CASSD/mrcc_cassd.irp.f
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@ -18,7 +18,6 @@ subroutine run
E_new = 0.d0
delta_E = 1.d0
iteration = 0
call diagonalize_ci_dressed(lambda)
lambda = 1.d0
do while (delta_E > thresh_mrcc)
iteration += 1