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fix typos in init_surf document #904

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merged 4 commits into from
Aug 24, 2022
Merged

fix typos in init_surf document #904

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255c51e
Create init_surf.md
goodluck-xyz Aug 18, 2022
12aac6e
Update index.rst
goodluck-xyz Aug 18, 2022
bff8a2c
fix typos in 'init_surf' document
goodluck-xyz Aug 22, 2022
b6e68e5
Merge branch 'devel' into goodluck-xyz-patch-2
goodluck-xyz Aug 22, 2022
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8 changes: 5 additions & 3 deletions doc/init/init_surf.md
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Expand Up @@ -8,13 +8,15 @@ dpgen init_surf PARAM [MACHINE]
The MACHINE configure file is optional. If this parameter exists, then the optimization
tasks or MD tasks will be submitted automatically according to MACHINE.json.

Basically `init_surf` can be devided into two parts , denoted as `stages` in `PARAM`:

Basically `init_surf` can be divided into two parts , denoted as `stages` in `PARAM`:
1. Build specific surface in folder `00.place_ele`
2. Pertub and scale in folder `01.scale_pert`

All stages must be **in order**.

Following is an example for `PARAM`, which generates data from a typical structure hcp.

Following is an example for `PARAM`, which generates data from a typical structure fcc.
```json
{
"stages": [
Expand Down Expand Up @@ -72,7 +74,7 @@ Following is an example for `PARAM`, which generates data from a typical structu

Another example is `from_poscar` method. Here you need to specify the POSCAR file.

```
```json
{
"stages": [
1,
Expand Down