mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-31 13:13:41 +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
|
rss = memory_of_double(N_states)*4.d0
|
||||||
call check_mem(rss,irp_here)
|
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))
|
allocate (pt2(N_states), zeros(N_states), rpt2(N_states), norm(N_states), variance(N_states))
|
||||||
|
|
||||||
double precision :: hf_energy_ref
|
double precision :: hf_energy_ref
|
||||||
|
@ -12,6 +12,7 @@ subroutine run_stochastic_cipsi
|
|||||||
double precision, external :: memory_of_double
|
double precision, external :: memory_of_double
|
||||||
PROVIDE H_apply_buffer_allocated N_generators_bitmask
|
PROVIDE H_apply_buffer_allocated N_generators_bitmask
|
||||||
|
|
||||||
|
N_iter = 1
|
||||||
threshold_generators = 1.d0
|
threshold_generators = 1.d0
|
||||||
SOFT_TOUCH threshold_generators
|
SOFT_TOUCH threshold_generators
|
||||||
|
|
||||||
|
Loading…
Reference in New Issue
Block a user