mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-12-03 10:28:25 +01:00
Fixed bug with zero beta electrons
This commit is contained in:
parent
667ad773f9
commit
e347ea6303
@ -11,7 +11,7 @@ END_PROVIDER
|
||||
implicit none
|
||||
logical, external :: testTeethBuilding
|
||||
integer :: i,j
|
||||
pt2_n_tasks_max = elec_beta_num*elec_beta_num + elec_alpha_num*elec_beta_num - n_core_orb*2
|
||||
pt2_n_tasks_max = elec_alpha_num*elec_alpha_num + elec_alpha_num*elec_beta_num - n_core_orb*2
|
||||
pt2_n_tasks_max = min(pt2_n_tasks_max,1+N_det_generators/10000)
|
||||
call write_int(6,pt2_n_tasks_max,'pt2_n_tasks_max')
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user