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Removed do_direct_integrals in ezfio

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This commit is contained in:
Anthony Scemama 2024-10-11 15:36:08 +02:00
parent 869b2b5ac1
commit 1772a78f95
2 changed files with 11 additions and 7 deletions
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7
src/ao_two_e_ints/EZFIO.cfg
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@ -23,13 +23,6 @@ doc: If | (ii|jj) | < `ao_cholesky_threshold` then (ii|jj) is zero
interface: ezfio,provider,ocaml interface: ezfio,provider,ocaml
default: 1.e-12 default: 1.e-12
[do_direct_integrals]
type: logical
doc: Compute integrals on the fly (Useful only for Cholesky decomposition)
interface: ezfio,provider,ocaml
default: True
ezfio_name: direct
[do_ao_cholesky] [do_ao_cholesky]
type: logical type: logical
doc: Perform Cholesky decomposition of AO integrals doc: Perform Cholesky decomposition of AO integrals

11
src/ao_two_e_ints/direct.irp.f Normal file
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@ -0,0 +1,11 @@
BEGIN_PROVIDER [ logical, do_direct_integrals ]
implicit none
BEGIN_DOC
! Compute integrals on the fly
END_DOC
do_direct_integrals = do_ao_cholesky
END_PROVIDER