Skip to content

Commit

Permalink
remove html from the readme
Browse files Browse the repository at this point in the history
  • Loading branch information
ejmeitz committed Sep 2, 2024
1 parent 8a83a98 commit 4814381
Showing 1 changed file with 50 additions and 10 deletions.
60 changes: 50 additions & 10 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -30,7 +30,23 @@ to_xyz(fcc_crystal, raw"./positions_fcc.xyz")
#### 3D Bravais Lattices
All 3D Bravais lattices created from the SimpleCrystal's API and visualized in [OVITO](https://ovito.org/). The radius of the atoms is chosen arbitrarily in OVITO.
The full list of implemented functions can be found [here](https://github.com/ejmeitz/SimpleCrystals.jl/blob/main/src/bravais/3D_bravais.jl).
<table>

| Crystal Family | Primitive | Base Centered | Body Centered | Face Centered |
| :---: | :---: | :---: | :---: | :---: |
| **Cubic**<br>a = b = c<br>α = β = γ = 90° | ![1](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/SC.png) | | ![2](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/BCC.png) | ![2](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/FCC.png) |
| **Triclinic**<br>a ≠ b ≠ c<br>α ≠ β ≠ γ | ![1](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/triclinic.png) | | | |
| **Monoclinic**<br>a ≠ b ≠ c<br>α = γ = 90°, β | ![1](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/monoclinic.png) | ![2](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/mono_base_centered.png) | | |
| **Orthorhombic**<br>a ≠ b ≠ c<br>α = β = γ = 90° | ![1](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/ortho.png) | ![2](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/ortho_base.png) | ![2](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/ortho_body.png) | ![2](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/ortho_fcc.png) |
| **Tetragonal**<br>a = b ≠ c<br>α = β = γ = 90° | ![1](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/tetragonal.png) | | ![2](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/tetragonal_body.png) | |
| **Hexagonal (Rhombohedral)**<br>a = b = c<br>α = β = γ | ![1](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/rhomb.png) | | | |
| **Hexagonal**<br>a, c<br>α = β = 90°, γ = 120° | ![1](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/hex_3d.png) | | | |






<!-- <table>
<tr>
<th>Crystal Family</th>
<th align="center">Primitive</th>
Expand Down Expand Up @@ -80,20 +96,25 @@ The full list of implemented functions can be found [here](https://github.com/ej
<td align="center"></td>
<td align="center"></td>
</tr>
<tr>
<tr>
<td align="center"><strong>Hexagonal</strong><br>a, c<br>&alpha; = &beta; = 90&#176, &gamma; = 120&#176</td>
<td align="center"> <img src="https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/hex_3d.png" alt="1" width = 160px height = 120px> </td>
<td align="center"></td>
<td align="center"></td>
<td align="center"></td>
</tr>
</table>
</table> -->

#### Other 3D Structrues
Diamond and HCP are also implemented as part of the API:

<table>
| Diamond | HCP |
|:-------:|:---:|
| ![Diamond](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/diamond.png) | ![HCP](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/HCP.png) |


<!-- <table>
<tr>
<td align="center">Diamond</td>
<td align="center">HCP</td>
Expand All @@ -102,12 +123,21 @@ Diamond and HCP are also implemented as part of the API:
<td align="center"> <img src="https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/diamond.png" alt="2" width = 160px height = 120px> </td>
<td align="center"> <img src="https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/HCP.png" alt="2" width = 160px height = 120px> </td>
</tr>
</table>
</table> -->


#### 2D Bravais Lattices
All 2D Bravais lattices created from the SimpleCrystal's API and visualized in [OVITO](https://ovito.org/).
The full list of implemented functions can be found [here](https://github.com/ejmeitz/SimpleCrystals.jl/blob/main/src/bravais/2D_bravais.jl).

| Crystal Family | Primitive | Centered |
|:--------------:|:---------:|:--------:|
| **Monoclinic**<br>a ≠ b<br>θ ≠ 90° | ![Primitive](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/oblique.png) | |
| **Orthorhombic**<br>a ≠ b<br>θ = 90° | ![Primitive](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/rect.png) | ![Centered](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/rect_centered.png) |
| **Tetragonal**<br>a = b<br>θ = 90° | ![Primitive](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/square.png) | |
| **Hexagonal**<br>θ = 120° | ![Primitive](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/hex_2d.png) | |

<!--
<table>
<tr>
<th>Crystal Family</th>
Expand Down Expand Up @@ -135,18 +165,23 @@ The full list of implemented functions can be found [here](https://github.com/ej
<td align="center"></td>
</tr>
</table>
</table> -->


#### Other 2D Structures
The honeycomb lattice is the only 2D non-bravais lattice implemented as part of the SimpleCrystals API.

<table>
| Honeycomb |
|:---------:|
| ![Honeycomb](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/honeycomb.png) |


<!-- <table>
<th align="center">Honeycomb</th>
<tr>
<td align="center"> <img src="https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/honeycomb.png" alt="1" width = 160px height = 120px> </td>
</tr>
</table>
</table> -->


#### User Defined Crystal Structures
Expand Down Expand Up @@ -197,7 +232,12 @@ end

Both methods yield the same structure with periodic boundary conditions, but the first function uses a conventional cell so the result is much easier to see and create a simulation box for. Whenever possible use a conventional cell (simple cubic lattice). Note that to use both of these functions the lattice parameter a is the distance between Na atoms (or Cl atoms) not the Na-Cl distance as the basis places the atoms at the proper 0.5*a spacing.

<table>
| Conventional Cell | FCC Unit Cell |
|:-----------------:|:--------------:|
| ![Conventional Cell](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/NaCl_8atom_basis.png) | ![FCC Unit Cell](https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/nacl_fcc_basis.png) |


<!-- <table>
<tr>
<th align="center">Conventional Cell</th>
<th align="center">FCC Unit Cell</th>
Expand All @@ -206,7 +246,7 @@ Both methods yield the same structure with periodic boundary conditions, but the
<td align="center"><img src="https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/NaCl_8atom_basis.png" alt="1" width = 320px height = 240px></td>
<td align="center"><img src="https://github.com/ejmeitz/SimpleCrystals.jl/raw/main/assets/nacl_fcc_basis.png" alt="1" width = 320px height = 240px></td>
</tr>
</table>
</table> -->

#### File I/O

Expand Down

0 comments on commit 4814381

Please sign in to comment.