diff --git a/docs/source/auto_generate.py b/docs/source/auto_generate.py index 8984d7e8..f83bbc39 100755 --- a/docs/source/auto_generate.py +++ b/docs/source/auto_generate.py @@ -212,6 +212,8 @@ def main(): entities = {} for abs_module in os.listdir(SRC): + if os.path.islink(os.path.join(SRC,abs_module)): + continue abs_module = os.path.join(SRC,abs_module) if os.path.exists( os.path.join(abs_module, "README.rst") ): read_entities = generate_providers(abs_module) @@ -221,6 +223,8 @@ def main(): for abs_module in os.listdir(SRC): abs_module = os.path.join(SRC,abs_module) + if os.path.islink(os.path.join(SRC,abs_module)): + continue if os.path.exists( os.path.join(abs_module, "README.rst") ): generate_modules(abs_module,entities) diff --git a/plugins/garniron/mrcepa0/NEED b/plugins/garniron/mrcepa0/NEED index 79f56893..2b961ca6 100644 --- a/plugins/garniron/mrcepa0/NEED +++ b/plugins/garniron/mrcepa0/NEED @@ -1 +1 @@ -DavidsonDressed Perturbation Selectors_full Generators_full Psiref_CAS MRCC_Utils ZMQ +davidson_dressed perturbation selectors_full generators_full psiref_cas mrcc_utils zmq diff --git a/plugins/tapplencourt/read_integral/NEED b/plugins/tapplencourt/read_integral/NEED index 0c15e599..98897252 100644 --- a/plugins/tapplencourt/read_integral/NEED +++ b/plugins/tapplencourt/read_integral/NEED @@ -1 +1,2 @@ -AO_one_e_integrals MO_one_e_integrals Integrals_Bielec Hartree_Fock +ao_one_e_integrals mo_one_e_integrals hartree_fock +ao_two_e_integrals mo_two_e_integrals diff --git a/src/hartree_fock/README.rst b/src/hartree_fock/README.rst index 7fa01d4f..9cc6ad30 100644 --- a/src/hartree_fock/README.rst +++ b/src/hartree_fock/README.rst @@ -17,6 +17,7 @@ It performs the following actions: The definition of the Fock matrix is in :file:`hartree_fock fock_matrix_hf.irp.f` For the keywords related to the |SCF| procedure, see the ``scf_utils`` directory where you will find all options. The main are: + # :option:`scf_utils thresh_scf` # :option:`scf_utils level_shift`