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mirror of https://github.com/pfloos/quack synced 2025-03-09 18:22:25 +01:00

Added one space, it is doing MOM

This commit is contained in:
Mauricio Rodriguez-Mayorga 2025-01-28 21:40:17 +01:00
parent f688dd6cec
commit f7b8a7ce4e

View File

@ -215,6 +215,7 @@ subroutine HFB(dotest,maxSCF,thresh,max_diis,level_shift,nNuc,ZNuc,rNuc,ENuc, &
c_hfb = matmul(X_hfb,cp)
! Compute MOM and reshufle the states
mom=matmul(cOld_T,matmul(S_hfb,c_hfb))
do iorb=1,nOrb2
project(iorb)=sqrt(dot_product(mom(:,iorb),mom(:,iorb)))