diff --git a/src/ao_two_e_ints/EZFIO.cfg b/src/ao_two_e_ints/EZFIO.cfg index dfead378..b6fd2489 100644 --- a/src/ao_two_e_ints/EZFIO.cfg +++ b/src/ao_two_e_ints/EZFIO.cfg @@ -10,34 +10,8 @@ doc: Read/Write |AO| Cholesky integrals from/to disk [ Write | Read | None ] interface: ezfio,provider,ocaml default: None -[ao_integrals_threshold] -type: Threshold -doc: If | (pq|rs) | < `ao_integrals_threshold` then (pq|rs) is zero -interface: ezfio,provider,ocaml -default: 1.e-15 -ezfio_name: threshold_ao - -[ao_cholesky_threshold] -type: Threshold -doc: If | (ii|jj) | < `ao_cholesky_threshold` then (ii|jj) is zero -interface: ezfio,provider,ocaml -default: 1.e-12 - - -[do_ao_cholesky] -type: logical -doc: Perform Cholesky decomposition of AO integrals -interface: ezfio,provider,ocaml -default: True - [io_ao_two_e_integrals_erf] type: Disk_access doc: Read/Write |AO| erf integrals from/to disk [ Write | Read | None ] interface: ezfio,provider,ocaml default: None - -[use_only_lr] -type: logical -doc: If true, use only the long range part of the two-electron integrals instead of 1/r12 -interface: ezfio, provider, ocaml -default: False diff --git a/src/two_e_ints_keywords/NEED b/src/two_e_ints_keywords/NEED new file mode 100644 index 00000000..5a3182ed --- /dev/null +++ b/src/two_e_ints_keywords/NEED @@ -0,0 +1 @@ +ezfio_files