From 0cfa37dcd0910ba47bae348ae9f51e50ddf4e0eb Mon Sep 17 00:00:00 2001 From: kmlefran Date: Tue, 27 Feb 2024 14:39:10 -0500 Subject: [PATCH] Correct docs --- docs/source/user_guide/tutorial.rst | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/docs/source/user_guide/tutorial.rst b/docs/source/user_guide/tutorial.rst index 763cdab..b86ba5a 100644 --- a/docs/source/user_guide/tutorial.rst +++ b/docs/source/user_guide/tutorial.rst @@ -53,7 +53,7 @@ The code below shows this setup. :: - from aiida-aimall.workchains import OptAimReorSPAimWorkChain + from aiida_aimall.workchains import OptAimReorSPAimWorkChain from aiida.engine import submit from aiida import orm from aiida.plugins.factories import DataFactory @@ -86,8 +86,8 @@ The code below shows this setup. "input_parameters": {"output.wfx": None}, }) builder.aim_params = AimqbParameters(parameter_dict = {"naat": 2, "nproc": 2, "atlaprhocps": True}) - builder.structure_str = Str("H 0.0 0.0 0.0\n H -1.0 0.0 0.0") - builder.g16_code = orm.load_code("gaussian@cedar") + builder.structure_str = orm.Str("H 0.0 0.0 0.0\n H -1.0 0.0 0.0") # simple H2 molecule + builder.g16_code = orm.load_code("gaussian@localhost") builder.aim_code = orm.load_code("aimall@localhost") submit(builder)