@@ -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
114114The first important change to make to the inputs from the
115115tutorial 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
154154For the polymer, the angular potential must be defined to give its
155155rigidity 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
166166Pulling 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
183183The stress is calculated as the total force
184184induced 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
233233The key is to modify the *.data * file
234234to 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
295295The CNT can be replicated using the *replicate * command.
296296It 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
324324I use the *compute rdf * command of LAMMPS
325325to 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
355355It is important to
356356make 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
394394The key is to combine the *compute dihedral/local *,
395395which 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
616616Adsorb 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
627627Apart from the parameters and topology, the *input * is
628628quite 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
659659The solution chosen here was to create two groups (*t1 * and *t2 *)
660660and 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
719719Reactive 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
947947As seen in the *input.lammps * file, the molecules are added to the system
948948using 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_3 O^+` ions will form thanks to
1019- the reactive force field.
1019+ the reactive force field.
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