PTEROSOR/QuAcK
10
1
Fork 0
mirror of https://github.com/pfloos/quack synced 2024-12-22 20:34:46 +01:00
Code Releases Activity

rm more warnings in Davidson

Browse Source
This commit is contained in:
Abdallah Ammar 2024-11-04 19:09:00 +01:00
parent 9090133281
commit 336c67ac3c
1 changed files with 3 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
src/LR/ppLR_davidson.f90
View File

@ -616,6 +616,9 @@ subroutine ppLR_davidson_2(ispin, TDA, nC, nO, nR, nOrb, nOO, nVV, lambda, e, eF
if(kernel_name .eq. "rpa") then if(kernel_name .eq. "rpa") then
allocate(rho_tmp(0,0,0))
allocate(Om_tmp(0))
call ppLR_RPA_H_diag(ispin, nOrb, nC, nO, nR, nOO, nVV, lambda, e(1), eF, & call ppLR_RPA_H_diag(ispin, nOrb, nC, nO, nR, nOO, nVV, lambda, e(1), eF, &
ERI(1,1,1,1), H_diag(1)) ERI(1,1,1,1), H_diag(1))