LCPQ
/
quantum_package
mirror of https://github.com/LCPQ/quantum_package
10
0
Fork 0
Code Issues Releases Wiki Activity

Final print

This commit is contained in:
Anthony Scemama 2017-11-22 16:23:56 +01:00
parent 38831926db
commit 6f68bc69e9
1 changed files with 3 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
plugins/Full_CI_ZMQ/fci_zmq.irp.f
View File

@ -10,8 +10,9 @@ program fci_zmq
double precision :: hf_energy_ref
logical :: has
double precision :: relative_error, absolute_error
integer :: N_states_p
double precision :: relative_error, absolute_error
integer :: N_states_p
character*(512) :: fmt
relative_error=PT2_relative_error
absolute_error=PT2_absolute_error
@ -87,7 +88,6 @@ program fci_zmq
! call write_double(6,correlation_energy_ratio, 'Correlation ratio')
! print *, ''
!
! character*(512) :: fmt
! N_states_p = min(N_det,N_states)
! print *, ''
! write(fmt,*) '(''# ============'',', N_states_p, '(1X,''=========================''))'