mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-10-04 07:05:58 +02:00
free two (3xN_gridxMOxMO) tables in TC-CIPSI
This commit is contained in:
parent
374a88bc62
commit
ee06ddf85e
@ -63,7 +63,9 @@ subroutine run_cipsi_tc
|
||||
call provide_all_three_ints_bi_ortho()
|
||||
endif
|
||||
endif
|
||||
! ---
|
||||
|
||||
FREE int2_grad1_u12_bimo_transp int2_grad1_u12_ao_transp
|
||||
|
||||
write(json_unit,json_array_open_fmt) 'fci_tc'
|
||||
|
||||
if (do_pt2) then
|
||||
@ -78,13 +80,16 @@ subroutine run_cipsi_tc
|
||||
call json_close
|
||||
|
||||
else
|
||||
|
||||
PROVIDE mo_bi_ortho_tc_one_e mo_bi_ortho_tc_two_e pt2_min_parallel_tasks
|
||||
|
||||
if(elec_alpha_num+elec_beta_num.ge.3)then
|
||||
if(three_body_h_tc)then
|
||||
call provide_all_three_ints_bi_ortho
|
||||
endif
|
||||
endif
|
||||
! ---
|
||||
|
||||
FREE int2_grad1_u12_bimo_transp int2_grad1_u12_ao_transp
|
||||
|
||||
call run_slave_cipsi
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user