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qp2
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Merge branch 'dev-stable' of github.com:quantumPackage/qp2 into dev-stable
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This commit is contained in:
Anthony Scemama 2023-10-18 09:09:49 +02:00
parent a3db8bb242 7369b1488b
commit 436e552cf8
3 changed files with 3 additions and 3 deletions
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2
src/dft_one_e/mu_erf_dft.irp.f
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@ -3,7 +3,7 @@ BEGIN_PROVIDER [double precision, mu_erf_dft]
BEGIN_DOC
! range separation parameter used in RS-DFT.
!
! It is set to mu_erf in order to be consistent with the module "ao_two_e_erf_ints"
! It is set to mu_erf in order to be consistent with the module "hamiltonian"
END_DOC
mu_erf_dft = mu_erf

2
src/mo_two_e_ints/mo_bi_integrals_erf.irp.f
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@ -55,7 +55,7 @@ BEGIN_PROVIDER [ logical, mo_two_e_integrals_erf_in_map ]
if (write_mo_two_e_integrals_erf) then
call ezfio_set_work_empty(.False.)
call map_save_to_disk(trim(ezfio_filename)//'/work/mo_ints_erf',mo_integrals_erf_map)
call ezfio_set_mo_two_e_erf_ints_io_mo_two_e_integrals_erf("Read")
call ezfio_set_mo_two_e_ints_io_mo_two_e_integrals_erf("Read")
endif
END_PROVIDER

2
src/mo_two_e_ints/routines_save_integrals_erf.irp.f
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@ -4,7 +4,7 @@ subroutine save_erf_two_e_integrals_mo
PROVIDE mo_two_e_integrals_erf_in_map
call ezfio_set_work_empty(.False.)
call map_save_to_disk(trim(ezfio_filename)//'/work/mo_ints_erf',mo_integrals_erf_map)
call ezfio_set_mo_two_e_erf_ints_io_mo_two_e_integrals_erf('Read')
call ezfio_set_mo_two_e_ints_io_mo_two_e_integrals_erf('Read')
end