diff --git a/src/Parquet/RParquet.f90 b/src/Parquet/RParquet.f90 index a228c7c..8738db9 100644 --- a/src/Parquet/RParquet.f90 +++ b/src/Parquet/RParquet.f90 @@ -133,9 +133,6 @@ subroutine RParquet(TDAeh,TDApp,max_diis_1b,max_diis_2b,linearize,eta,ENuc,max_i n_it_1b = 0 err_1b = 1d0 - n_it_2b = 0 - err_2b = 1d0 - eQP(:) = eHF(:) eOld(:) = eHF(:) @@ -173,6 +170,11 @@ subroutine RParquet(TDAeh,TDApp,max_diis_1b,max_diis_2b,linearize,eta,ENuc,max_i write(*,*)'=====================================' write(*,*) +! Initialization + + n_it_2b = 0 + err_2b = 1d0 + !-----------------------------------------! ! Main loop for two-body self-consistency ! !-----------------------------------------!