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2 changes: 1 addition & 1 deletion .dependencies/lammpstutorials-inputs
14 changes: 7 additions & 7 deletions docs/sphinx/source/tutorial2/tutorial.rst
Original file line number Diff line number Diff line change
Expand Up @@ -77,7 +77,7 @@ as well as the identity of the atoms that are linked by ``bonds``, ``angles``,

.. |unbreakable_data| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial2/unbreakable.data" target="_blank">unbreakable.data</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial2/unbreakable.data" target="_blank">unbreakable.data</a>

.. admonition:: Note
:class: non-title-info
Expand Down Expand Up @@ -381,7 +381,7 @@ the **unbreakable.yaml** file can then be used to plot the stress-strain curve.

.. |yaml_reader| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial2/unbreakable-yaml-reader.py" target="_blank">unbreakable-yaml-reader.py</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial2/unbreakable-yaml-reader.py" target="_blank">unbreakable-yaml-reader.py</a>

.. figure:: figures/CNT-unbreakable-stress-strain-dm.png
:class: only-dark
Expand Down Expand Up @@ -430,11 +430,11 @@ and must be placed next to **breakable.lmp**.

.. |breakable_lmp| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial2/breakable.lmp" target="_blank">breakable.lmp</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial2/breakable.lmp" target="_blank">breakable.lmp</a>

.. |CH_airebo| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial2/CH.airebo" target="_blank">CH.airebo</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial2/CH.airebo" target="_blank">CH.airebo</a>

.. admonition:: Note
:class: non-title-info
Expand All @@ -458,7 +458,7 @@ the :math:`x`-axis, to allow for larger deformation of the CNT.

.. |breakable_data| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial2/breakable.data" target="_blank">breakable.data</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial2/breakable.data" target="_blank">breakable.data</a>

Start the simulation
--------------------
Expand Down Expand Up @@ -546,7 +546,7 @@ curve reveals a linear (elastic) regime where

.. |unbreakable_yaml_reader| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial2/unbreakable-yaml-reader.py" target="_blank">unbreakable-yaml-reader.py</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial2/unbreakable-yaml-reader.py" target="_blank">unbreakable-yaml-reader.py</a>

.. figure:: figures/CNT-breakable-stress-energy-dm.png
:class: only-dark
Expand Down Expand Up @@ -597,4 +597,4 @@ force fields with explicit bonds.

.. |breakable_with_tip| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial2/breakable-with-tip.lmp" target="_blank">breakable-with-tip.lmp</a>,
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial2/breakable-with-tip.lmp" target="_blank">breakable-with-tip.lmp</a>,
8 changes: 4 additions & 4 deletions docs/sphinx/source/tutorial3/tutorial.rst
Original file line number Diff line number Diff line change
Expand Up @@ -59,7 +59,7 @@ distances, etc). Thus add to **water.lmp** the line:

.. |parameters_inc_3| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial3/parameters.inc" target="_blank">parameters.inc</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial3/parameters.inc" target="_blank">parameters.inc</a>

.. code-block:: lammps

Expand Down Expand Up @@ -105,7 +105,7 @@ or the IDs of the atoms that are connected by bonds and angles.

.. |water_mol_3| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial3/water.mol" target="_blank">water.mol</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial3/water.mol" target="_blank">water.mol</a>

.. figure:: figures/PEG-density-dm.png
:class: only-dark
Expand Down Expand Up @@ -271,7 +271,7 @@ commands to **merge.lmp**:

.. |peg_mol_3| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial3/peg.mol" target="_blank">peg.mol</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial3/peg.mol" target="_blank">peg.mol</a>

.. code-block:: lammps

Expand Down Expand Up @@ -500,7 +500,7 @@ Then, replace the existing ``dump`` and ``dump_modify`` commands with:

.. |pull_with_tip_lmp_3| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial3/pull-with-tip.lmp" target="_blank">pull-with-tip.lmp</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial3/pull-with-tip.lmp" target="_blank">pull-with-tip.lmp</a>

.. code-block:: lammps

Expand Down
6 changes: 3 additions & 3 deletions docs/sphinx/source/tutorial4/tutorial.rst
Original file line number Diff line number Diff line change
Expand Up @@ -100,7 +100,7 @@ bonds, and angles. Add the following lines to **create.lmp**:

.. |water_mol_4| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial4/water.mol" target="_blank">water.mol</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial4/water.mol" target="_blank">water.mol</a>

.. code-block:: lammps

Expand Down Expand Up @@ -152,11 +152,11 @@ must be located next to **create.lmp**. The **parameters.inc** file contains the

.. |parameters_inc_4| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial4/parameters.inc" target="_blank">parameters.inc</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial4/parameters.inc" target="_blank">parameters.inc</a>

.. |groups_inc_4| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial4/groups.inc" target="_blank">groups.inc</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial4/groups.inc" target="_blank">groups.inc</a>

.. code-block:: lammps

Expand Down
4 changes: 2 additions & 2 deletions docs/sphinx/source/tutorial5/tutorial.rst
Original file line number Diff line number Diff line change
Expand Up @@ -35,7 +35,7 @@ charge of :math:`q = 1.1\,\text{e}`, and all oxygen atoms have a charge of :math

.. |silica_data_5| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial5/silica.data" target="_blank">silica.data</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial5/silica.data" target="_blank">silica.data</a>

.. admonition:: Note
:class: non-title-info
Expand Down Expand Up @@ -66,7 +66,7 @@ equilibrate the charge.

.. |reaxCHOFe_inc_5| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial5/reaxCHOFe.inc" target="_blank">reaxCHOFe.inc</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial5/reaxCHOFe.inc" target="_blank">reaxCHOFe.inc</a>

Next, add the following commands to the **relax.lmp** file to track the
evolution of the charges during the simulation:
Expand Down
4 changes: 2 additions & 2 deletions docs/sphinx/source/tutorial6/tutorial.rst
Original file line number Diff line number Diff line change
Expand Up @@ -50,7 +50,7 @@ Ensure that the |SiO_1990_vashishta_6| file is located in the same directory as

.. |SiO_1990_vashishta_6| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial6/SiO.1990.vashishta" target="_blank">SiO.1990.vashishta</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial6/SiO.1990.vashishta" target="_blank">SiO.1990.vashishta</a>

Next, add a ``dump image`` command to **generate.lmp** to follow the
evolution of the system with time:
Expand Down Expand Up @@ -253,7 +253,7 @@ must be downloaded and located next to **gcmc.lmp**.

.. |H2O_mol_6| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial6/H2O.mol" target="_blank">H2O.mol</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial6/H2O.mol" target="_blank">H2O.mol</a>

Before going further, we need to make a few changes to our data file.
Currently, the **cracking.data** file includes only two atom types, but we require four.
Expand Down
2 changes: 1 addition & 1 deletion docs/sphinx/source/tutorial7/tutorial.rst
Original file line number Diff line number Diff line change
Expand Up @@ -438,7 +438,7 @@ Then, run the WHAM algorithm by typing the following command in the terminal:

.. |umbrella_sampling_meta| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial7/umbrella-sampling.meta" target="_blank">umbrella-sampling.meta</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial7/umbrella-sampling.meta" target="_blank">umbrella-sampling.meta</a>

.. code-block:: bash

Expand Down
22 changes: 11 additions & 11 deletions docs/sphinx/source/tutorial8/tutorial.rst
Original file line number Diff line number Diff line change
Expand Up @@ -38,7 +38,7 @@ CNT. Add the following line to **mixing.lmp**:

.. |CNT_data_8| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial8/CNT.data" target="_blank">CNT.data</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial8/CNT.data" target="_blank">CNT.data</a>

.. code-block:: lammps

Expand All @@ -51,7 +51,7 @@ we will use the |styrene_mol_8| molecule template file. Include the following co

.. |styrene_mol_8| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial8/styrene.mol" target="_blank">styrene.mol</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial8/styrene.mol" target="_blank">styrene.mol</a>

.. code-block:: lammps

Expand Down Expand Up @@ -175,39 +175,39 @@ for polymer.

.. |M_M_pre_mol_8| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial8/M-M_pre.mol" target="_blank">M-M_pre.mol</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial8/M-M_pre.mol" target="_blank">M-M_pre.mol</a>

.. |M_M_post_mol_8| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial8/M-M_post.mol" target="_blank">M-M_post.mol</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial8/M-M_post.mol" target="_blank">M-M_post.mol</a>

.. |M_M_rxnmap_8| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial8/M-M.rxnmap" target="_blank">M-M.rxnmap</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial8/M-M.rxnmap" target="_blank">M-M.rxnmap</a>

.. |M_P_pre_mol_8| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial8/M-P_pre.mol" target="_blank">M-P_pre.mol</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial8/M-P_pre.mol" target="_blank">M-P_pre.mol</a>

.. |M_P_post_mol_8| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial8/M-P_post.mol" target="_blank">M-P_post.mol</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial8/M-P_post.mol" target="_blank">M-P_post.mol</a>

.. |M_P_rxnmap_8| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial8/M-P.rxnmap" target="_blank">M-P.rxnmap</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial8/M-P.rxnmap" target="_blank">M-P.rxnmap</a>

.. |P_P_pre_mol_8| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial8/P-P_pre.mol" target="_blank">P-P_pre.mol</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial8/P-P_pre.mol" target="_blank">P-P_pre.mol</a>

.. |P_P_post_mol_8| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial8/P-P_post.mol" target="_blank">P-P_post.mol</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial8/P-P_post.mol" target="_blank">P-P_post.mol</a>

.. |P_P_rxnmap_8| raw:: html

<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial8/P-P.rxnmap" target="_blank">P-P.rxnmap</a>
<a href="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials-inputs/refs/heads/main/tutorial8/P-P.rxnmap" target="_blank">P-P.rxnmap</a>

Simulating the reaction
-----------------------
Expand Down
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