mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-31 08:13:43 +02:00
Minor fix
This commit is contained in:
parent
ae3a4929b6
commit
a4d2e39978
@ -13,6 +13,7 @@ subroutine run_cipsi
|
||||
rss = memory_of_double(N_states)*4.d0
|
||||
call check_mem(rss,irp_here)
|
||||
|
||||
N_iter = 1
|
||||
allocate (pt2(N_states), zeros(N_states), rpt2(N_states), norm(N_states), variance(N_states))
|
||||
|
||||
double precision :: hf_energy_ref
|
||||
|
@ -12,6 +12,7 @@ subroutine run_stochastic_cipsi
|
||||
double precision, external :: memory_of_double
|
||||
PROVIDE H_apply_buffer_allocated N_generators_bitmask
|
||||
|
||||
N_iter = 1
|
||||
threshold_generators = 1.d0
|
||||
SOFT_TOUCH threshold_generators
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user