[pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci
JPchico · Nov 20, 2023 · c0b5c47 · c0b5c47
1 parent c5c1cb7
commit c0b5c47
Show file tree

Hide file tree

Showing 4 changed files with 4 additions and 4 deletions.
diff --git a/docs/source/reference/api/index.md b/docs/source/reference/api/index.md
@@ -8,4 +8,4 @@ auto/aiida_lammps/data/index
 auto/aiida_lammps/parsers/index
 auto/aiida_lammps/validation/index
 auto/aiida_lammps/workflows/index
-```
+```
diff --git a/docs/source/tutorials/first_md.md b/docs/source/tutorials/first_md.md
@@ -142,7 +142,7 @@ The parameters have several sections which control different behavior of the cal
 - `compute` section specifies which parameters will be calculated and printed to file during the LAMMPS simulation ([see compute command](https://docs.lammps.org/compute.html)).
 - `structure`: controls aspects related to the structure handling in {{ LAMMPS }}.
 - `thermo`: controls which global thermodynamic information will be calculated and written to file ([see thermo command](https://docs.lammps.org/thermo.html)).
-- `md`: controls how the molecular dynamics calculations are performed. Controlling which type of ensemble will be used, eg. [npt](https://docs.lammps.org/fix_nh.html#fix-npt-command), [nvt](https://docs.lammps.org/fix_nh.html#fix-nvt-command), [nve](https://docs.lammps.org/fix_nve.html) as well as initial thermalization parameters such as the [velocities](https://docs.lammps.org/velocity.html) of the particles. 
+- `md`: controls how the molecular dynamics calculations are performed. Controlling which type of ensemble will be used, eg. [npt](https://docs.lammps.org/fix_nh.html#fix-npt-command), [nvt](https://docs.lammps.org/fix_nh.html#fix-nvt-command), [nve](https://docs.lammps.org/fix_nve.html) as well as initial thermalization parameters such as the [velocities](https://docs.lammps.org/velocity.html) of the particles.
 
 Lastly one needs to define the computational resources needed to perform the calculation
 ```python

diff --git a/docs/source/tutorials/include/scripts/run_md_basic.py b/docs/source/tutorials/include/scripts/run_md_basic.py
@@ -64,7 +64,7 @@
                 "pzz": True,
             },
         },
-        "md":{
+        "md": {
             "integration": {
                 "style": "npt",
                 "constraints": {

diff --git a/pyproject.toml b/pyproject.toml
@@ -143,7 +143,7 @@ passenv = RUN_APIDOC
 setenv =
     update: RUN_APIDOC = False
 changedir = docs
-allowlist_externals = 
+allowlist_externals =
     make
     rm
     echo