LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-22 20:35:19 +01:00
Code Issues Releases Wiki Activity

Resized array energy

Browse Source
This commit is contained in:
Anthony Scemama 2016-11-16 21:28:10 +01:00
parent 13f2c5d5a9
commit 3407b6df85
5 changed files with 5 additions and 5 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
plugins/CAS_SD_ZMQ/run_selection_slave.irp.f
View File

@ -4,7 +4,7 @@ subroutine run_selection_slave(thread,iproc,energy)
use selection_types use selection_types
implicit none implicit none
double precision, intent(in) :: energy(N_states_diag) double precision, intent(in) :: energy(N_states)
integer, intent(in) :: thread, iproc integer, intent(in) :: thread, iproc
integer :: rc, i integer :: rc, i

2
plugins/CAS_SD_ZMQ/selection_cassd_slave.irp.f
View File

@ -74,7 +74,7 @@ subroutine update_energy(energy)
enddo enddo
call u_0_S2_u_0(CI_eigenvectors_s2,CI_eigenvectors,N_det,psi_det,N_int) call u_0_S2_u_0(CI_eigenvectors_s2,CI_eigenvectors,N_det,psi_det,N_int)
if (.True.) then if (.True.) then
do k=1,size(ci_electronic_energy) do k=1,N_states
ci_electronic_energy(k) = energy(k) ci_electronic_energy(k) = energy(k)
enddo enddo
TOUCH ci_electronic_energy CI_eigenvectors_s2 CI_eigenvectors TOUCH ci_electronic_energy CI_eigenvectors_s2 CI_eigenvectors

2
plugins/Full_CI_ZMQ/run_selection_slave.irp.f
View File

@ -4,7 +4,7 @@ subroutine run_selection_slave(thread,iproc,energy)
use selection_types use selection_types
implicit none implicit none
double precision, intent(in) :: energy(N_states_diag) double precision, intent(in) :: energy(N_states)
integer, intent(in) :: thread, iproc integer, intent(in) :: thread, iproc
integer :: rc, i integer :: rc, i

2
plugins/Full_CI_ZMQ/selection_davidson_slave.irp.f
View File

@ -88,7 +88,7 @@ subroutine update_energy(energy)
enddo enddo
call u_0_S2_u_0(CI_eigenvectors_s2,CI_eigenvectors,N_det,psi_det,N_int) call u_0_S2_u_0(CI_eigenvectors_s2,CI_eigenvectors,N_det,psi_det,N_int)
if (.True.) then if (.True.) then
do k=1,size(ci_electronic_energy) do k=1,N_states
ci_electronic_energy(k) = energy(k) ci_electronic_energy(k) = energy(k)
enddo enddo
TOUCH ci_electronic_energy CI_eigenvectors_s2 CI_eigenvectors TOUCH ci_electronic_energy CI_eigenvectors_s2 CI_eigenvectors

2
plugins/Full_CI_ZMQ/selection_slave.irp.f
View File

@ -74,7 +74,7 @@ subroutine update_energy(energy)
enddo enddo
call u_0_S2_u_0(CI_eigenvectors_s2,CI_eigenvectors,N_det,psi_det,N_int) call u_0_S2_u_0(CI_eigenvectors_s2,CI_eigenvectors,N_det,psi_det,N_int)
if (.True.) then if (.True.) then
do k=1,size(ci_electronic_energy) do k=1,N_states
ci_electronic_energy(k) = energy(k) ci_electronic_energy(k) = energy(k)
enddo enddo
TOUCH ci_electronic_energy CI_eigenvectors_s2 CI_eigenvectors TOUCH ci_electronic_energy CI_eigenvectors_s2 CI_eigenvectors