Skip to content

Commit 0a273a4

Browse files
committed
deploy: 07a8760
1 parent d67f7bd commit 0a273a4

56 files changed

Lines changed: 386 additions & 310 deletions

Some content is hidden

Large Commits have some content hidden by default. Use the searchbox below for content that may be hidden.
0 Bytes
Binary file not shown.
1.37 KB
Binary file not shown.

sphinx/build/html/_sources/non-tutorials/solutions.rst.txt

Lines changed: 23 additions & 23 deletions
Original file line numberDiff line numberDiff line change
@@ -16,7 +16,7 @@ working |input_broken_solution| I wrote. These are the main commands:
1616

1717
.. |input_broken_solution| raw:: html
1818

19-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial1/exercises/broken/input.lammps" target="_blank">input</a>
19+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial1/exercises/broken/input.lammps" target="_blank">input</a>
2020

2121
.. code-block:: lammps
2222
@@ -70,7 +70,7 @@ I use large numbers of particles: 8000 for each type.
7070

7171
.. |input_demixed_solution| raw:: html
7272

73-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial1/exercises/demixion/input.lammps" target="_blank">input</a>
73+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial1/exercises/demixion/input.lammps" target="_blank">input</a>
7474

7575
.. container:: justify
7676

@@ -109,7 +109,7 @@ dumbell molecules.
109109

110110
.. |input_dumbbell_solution| raw:: html
111111

112-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial1/exercises/dumbbell/input.lammps" target="_blank">input</a>
112+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial1/exercises/dumbbell/input.lammps" target="_blank">input</a>
113113

114114
The first important change to make to the inputs from the
115115
tutorial is the *atom_style*: an *atom_style* that allows for the atoms
@@ -149,19 +149,19 @@ length (2.5) need to be specified:
149149
150150
.. |mol_dumbbell_solution| raw:: html
151151

152-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial1/exercises/dumbbell/dumbell.mol" target="_blank">here</a>
152+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial1/exercises/dumbbell/dumbell.mol" target="_blank">here</a>
153153

154154
For the polymer, the angular potential must be defined to give its
155155
rigidity to the polymer. You can download the |input_polymer_solution| and
156156
|mol_polymer_solution|.
157157

158158
.. |input_polymer_solution| raw:: html
159159

160-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial1/exercises/polymer/input.lammps" target="_blank">input</a>
160+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial1/exercises/polymer/input.lammps" target="_blank">input</a>
161161

162162
.. |mol_polymer_solution| raw:: html
163163

164-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial1/exercises/polymer/polymer.mol" target="_blank">molecule template</a>
164+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial1/exercises/polymer/polymer.mol" target="_blank">molecule template</a>
165165

166166
Pulling on a carbon nanotube
167167
============================
@@ -174,11 +174,11 @@ and |input_stress_strain_solution2| I wrote.
174174

175175
.. |input_stress_strain_solution1| raw:: html
176176

177-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial2/exercises/stress-strain/breakable-bonds/input.lammps" target="_blank">input for the breakable CNT</a>
177+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial2/exercises/stress-strain/breakable-bonds/input.lammps" target="_blank">input for the breakable CNT</a>
178178

179179
.. |input_stress_strain_solution2| raw:: html
180180

181-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial2/exercises/stress-strain/unbreakable-bonds/input.lammps" target="_blank">input for the unbreakable CNT</a>
181+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial2/exercises/stress-strain/unbreakable-bonds/input.lammps" target="_blank">input for the unbreakable CNT</a>
182182

183183
The stress is calculated as the total force
184184
induced on the CNT by the pulling divided by the
@@ -228,7 +228,7 @@ You can download the |input_gas_cnt| I wrote.
228228

229229
.. |input_gas_cnt| raw:: html
230230

231-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial2/exercises/gas/input.lammps" target="_blank">input</a>
231+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial2/exercises/gas/input.lammps" target="_blank">input</a>
232232

233233
The key is to modify the *.data* file
234234
to make space for the second atom type 2.
@@ -290,7 +290,7 @@ You can download the |input_membrane_solution1| I wrote.
290290

291291
.. |input_membrane_solution1| raw:: html
292292

293-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial2/exercises/membrane/input.lammps" target="_blank">input</a>
293+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial2/exercises/membrane/input.lammps" target="_blank">input</a>
294294

295295
The CNT can be replicated using the *replicate* command.
296296
It is recommended to adjust the box size before replicating,
@@ -319,7 +319,7 @@ You can download the |input_PEG_RDF| file I wrote.
319319

320320
.. |input_PEG_RDF| raw:: html
321321

322-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial3/exercises/radial-distribution-function/input.lammps" target="_blank">input</a>
322+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial3/exercises/radial-distribution-function/input.lammps" target="_blank">input</a>
323323

324324
I use the *compute rdf* command of LAMMPS
325325
to extract the RDF between atoms of type 8 (oxygen from water)
@@ -342,15 +342,15 @@ and |parm_PEG_salt| files I wrote.
342342

343343
.. |input_PEG_salt| raw:: html
344344

345-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial3/exercises/salt/input.lammps" target="_blank">input</a>
345+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial3/exercises/salt/input.lammps" target="_blank">input</a>
346346

347347
.. |data_PEG_salt| raw:: html
348348

349-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial3/exercises/salt/mix-with-salt.data" target="_blank">data</a>
349+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial3/exercises/salt/mix-with-salt.data" target="_blank">data</a>
350350

351351
.. |parm_PEG_salt| raw:: html
352352

353-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial3/exercises/salt/PARM-with-salt.lammps" target="_blank">parm</a>
353+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial3/exercises/salt/PARM-with-salt.lammps" target="_blank">parm</a>
354354

355355
It is important to
356356
make space for the two salt atoms by modifying the data file as follows:
@@ -389,7 +389,7 @@ You can download the |input_PEG_dihedral| file I wrote.
389389

390390
.. |input_PEG_dihedral| raw:: html
391391

392-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial3/exercises/structurePEG/input.lammps" target="_blank">input</a>
392+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial3/exercises/structurePEG/input.lammps" target="_blank">input</a>
393393

394394
The key is to combine the *compute dihedral/local*,
395395
which computes the angles of the dihedrals and returns
@@ -611,7 +611,7 @@ progressive adsorption of both species.
611611

612612
.. |input_mixture| raw:: html
613613

614-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial6/Exercises/MixtureH2OCO2/input.lammps" target="_blank">input</a>
614+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial6/Exercises/MixtureH2OCO2/input.lammps" target="_blank">input</a>
615615

616616
Adsorb water in ZIF-8 nanopores
617617
-------------------------------
@@ -622,7 +622,7 @@ which you have to place in the same folder as the *zif-8.data*,
622622

623623
.. |input_zif| raw:: html
624624

625-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial6/Exercises/Zif-8/input.lammps" target="_blank">input</a>
625+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial6/Exercises/Zif-8/input.lammps" target="_blank">input</a>
626626

627627
Apart from the parameters and topology, the *input* is
628628
quite similar to the one developed in the case of the crack
@@ -654,7 +654,7 @@ You can download the |input_binary_wont_mix| here.
654654

655655
.. |input_binary_wont_mix| raw:: html
656656

657-
<a href=".../../../../../.dependencies/lammpstutorials-inputs/tutorial7/Exercises/BinaryFluid/input.lammps" target="_blank">input</a>
657+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial7/Exercises/BinaryFluid/input.lammps" target="_blank">input</a>
658658

659659
The solution chosen here was to create two groups (*t1* and *t2*)
660660
and apply the two potentials *U1* and *U2* to each group, respectively.
@@ -714,7 +714,7 @@ You can download the |input_adsorption_ethanol| here.
714714

715715
.. |input_adsorption_ethanol| raw:: html
716716

717-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial7/Exercises/MoleculeAdsorption/input.lammps" target="_blank">input</a>
717+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial7/Exercises/MoleculeAdsorption/input.lammps" target="_blank">input</a>
718718

719719
Reactive silicon dioxide
720720
========================
@@ -942,7 +942,7 @@ Then, download the proposed input |input_reax_water|.
942942

943943
.. |input_reax_water| raw:: html
944944

945-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial5/Exercices/Hydrate/input.lammps" target="_blank">here</a>
945+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial5/Exercices/Hydrate/input.lammps" target="_blank">here</a>
946946

947947
As seen in the *input.lammps* file, the molecules are added to the system
948948
using the *create_atoms* command:
@@ -973,11 +973,11 @@ file. In addition, create a molecule template named *H2O.mol*:
973973

974974
.. |input_reax_water_2| raw:: html
975975

976-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial5/Exercices/BulkWater/input.lammps" target="_blank">here</a>
976+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial5/Exercices/BulkWater/input.lammps" target="_blank">here</a>
977977

978978
.. |reaxCHOFe_ff_ex| raw:: html
979979

980-
<a href="../../../../../.dependencies/lammpstutorials-inputs/tutorial5/Exercices/BulkWater/reaxCHOFe.ff" target="_blank">reaxff force field</a>
980+
<a href="https://github.com/lammpstutorials/lammpstutorials-inputs/tree/main/tutorial5/Exercices/BulkWater/reaxCHOFe.ff" target="_blank">reaxff force field</a>
981981

982982
.. code-block:: lammps
983983
@@ -1016,4 +1016,4 @@ to make the solution slightly acidic:
10161016
create_atoms 2 random 1 305672 NULL overlap 0.5 maxtry 200
10171017
10181018
As the simulation progresses, some :math:`H_3O^+` ions will form thanks to
1019-
the reactive force field.
1019+
the reactive force field.

sphinx/build/html/_static/styles/furo.css

Lines changed: 1 addition & 1 deletion
Some generated files are not rendered by default. Learn more about customizing how changed files appear on GitHub.

sphinx/build/html/_static/styles/furo.css.map

Lines changed: 1 addition & 1 deletion
Some generated files are not rendered by default. Learn more about customizing how changed files appear on GitHub.

sphinx/build/html/_static/togglebutton.css

Lines changed: 8 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -43,6 +43,7 @@
4343
margin: 0;
4444
opacity: 0;
4545
visibility: hidden;
46+
display: block;
4647
}
4748

4849
/* General button style and position*/
@@ -65,7 +66,7 @@ button.toggle-button {
6566

6667
/* Display the toggle hint on wide screens */
6768
@media (min-width: 768px) {
68-
button.toggle-button.toggle-button-hidden:before {
69+
button.toggle-button:before {
6970
content: attr(data-toggle-hint); /* This will be filled in by JS */
7071
font-size: .8em;
7172
align-self: center;
@@ -157,4 +158,9 @@ details.toggle-details[open] summary ~ * {
157158
details.toggle-details summary {
158159
display: none;
159160
}
160-
}
161+
}
162+
163+
/* Dropdown under a code cell in dark mode */
164+
[data-theme="dark"] details.hide.below-input summary span {
165+
color: black !important;
166+
}

0 commit comments

Comments
 (0)