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Merge pull request #17 from davidwaroquiers/release_1_1_1
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Release 1.1.1
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@davidwaroquiers
davidwaroquiers authored Feb 15, 2022
2 parents 2174b74 + a582cce commit 6b3d547
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13 changes: 13 additions & 0 deletions conftest.py
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import pytest

from pymatgen.core.structure import Molecule
from pymatgen.core.structure import Structure

from turbomoleio.core.control import Control

Expand Down Expand Up @@ -42,6 +43,18 @@ def molecule(molecule_filename):
molecule_filename))


@pytest.fixture
def structure(structure_filename):
return Structure.from_file(os.path.join(TESTDIR,
'structures',
structure_filename))


@pytest.fixture
def structure_filepath(structure_filename):
return os.path.join(TESTDIR, 'structures', structure_filename)


@pytest.fixture
def mo_dirpath(dir_name):
return os.path.join(TESTDIR, 'mo', dir_name)
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150 changes: 24 additions & 126 deletions docs/_modules/index.html
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Expand All @@ -104,82 +54,46 @@
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<h1>All modules for which code is available</h1>
<ul><li><a href="cerberus/validator.html">cerberus.validator</a></li>
<ul><li><a href="turbomoleio/core/base.html">turbomoleio.core.base</a></li>
<li><a href="turbomoleio/core/control.html">turbomoleio.core.control</a></li>
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Expand All @@ -198,46 +112,30 @@ <h1>All modules for which code is available</h1>
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