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Correct docs
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kmlefran committed Feb 27, 2024
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6 changes: 3 additions & 3 deletions docs/source/user_guide/tutorial.rst
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Expand Up @@ -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
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"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)

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