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kpt_num interface and deinit map 2

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This commit is contained in:
Kevin Gasperich 2020-05-28 14:55:36 -05:00
parent 134de074f3
commit ca7321fdc7
2 changed files with 4 additions and 3 deletions
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4
src/mo_two_e_ints/mo_bi_integrals.irp.f
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@ -1462,9 +1462,9 @@ subroutine clear_mo_map
! Frees the memory of the MO map ! Frees the memory of the MO map
END_DOC END_DOC
call map_deinit(mo_integrals_map) call map_deinit(mo_integrals_map)
if (is_complex) then !if (is_complex) then
call map_deinit(mo_integrals_map_2) call map_deinit(mo_integrals_map_2)
endif !endif
FREE mo_integrals_map mo_two_e_integrals_jj mo_two_e_integrals_jj_anti FREE mo_integrals_map mo_two_e_integrals_jj mo_two_e_integrals_jj_anti
FREE mo_two_e_integrals_jj_exchange mo_two_e_integrals_in_map FREE mo_two_e_integrals_jj_exchange mo_two_e_integrals_in_map
end end

3
src/nuclei/EZFIO.cfg
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@ -47,7 +47,8 @@ default: None
[kpt_num] [kpt_num]
doc: Number of k-points doc: Number of k-points
type: integer type: integer
interface: ezfio, provider interface: ezfio, provider, ocaml
default: 1
[kpt_pair_num] [kpt_pair_num]
doc: Number of k-point pairs doc: Number of k-point pairs