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mirror of https://github.com/LCPQ/quantum_package synced 2024-10-19 22:41:48 +02:00

Removed unused use

This commit is contained in:
Anthony Scemama 2018-09-26 18:40:23 +02:00
parent d0a5e7d253
commit 04d810ed6f
2 changed files with 1 additions and 28 deletions

View File

@ -233,7 +233,6 @@ END_PROVIDER
subroutine ZMQ_dress(E, dress, delta_out, delta_s2_out, relative_error)
use f77_zmq
use selection_types
implicit none
@ -544,6 +543,7 @@ subroutine dress_collector(zmq_socket_pull, E, relative_error, delta, delta_s2,
error =1.d0
endif
m += 1
! /!\ avg == 0.d0 needs to be handled here
if(dabs(error / avg) <= relative_error) then
integer, external :: zmq_put_dvector
integer, external :: zmq_put_int

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@ -1,27 +0,0 @@
program mrsc2sub
implicit none
double precision, allocatable :: energy(:)
allocate (energy(N_states))
!mrmode : 1=mrcepa0, 2=mrsc2 add, 3=mrcc
mrmode = 3
read_wf = .True.
SOFT_TOUCH read_wf
call set_generators_bitmasks_as_holes_and_particles
if (.True.) then
integer :: i,j
do j=1,N_states
do i=1,N_det
psi_coef(i,j) = CI_eigenvectors(i,j)
enddo
enddo
SOFT_TOUCH psi_coef
endif
call run(N_states,energy)
if(do_pt2)then
call run_pt2(N_states,energy)
endif
deallocate(energy)
end