diff --git a/src/ao_two_e_ints/EZFIO.cfg b/src/ao_two_e_ints/EZFIO.cfg index a985149e..9a8dbc42 100644 --- a/src/ao_two_e_ints/EZFIO.cfg +++ b/src/ao_two_e_ints/EZFIO.cfg @@ -23,13 +23,6 @@ doc: If | (ii|jj) | < `ao_cholesky_threshold` then (ii|jj) is zero interface: ezfio,provider,ocaml 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] type: logical doc: Perform Cholesky decomposition of AO integrals diff --git a/src/ao_two_e_ints/direct.irp.f b/src/ao_two_e_ints/direct.irp.f new file mode 100644 index 00000000..ce093a57 --- /dev/null +++ b/src/ao_two_e_ints/direct.irp.f @@ -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 + +