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Merge pull request #15 from hspark1212/develop
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update readme
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hspark1212 authored Nov 29, 2023
2 parents 1665931 + 8585829 commit a4390e4
Showing 1 changed file with 4 additions and 4 deletions.
8 changes: 4 additions & 4 deletions README.md
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Expand Up @@ -48,9 +48,9 @@ Check out a [tutorial](tutorial.ipynb) file for more details
Calculate a 30x30x30 energy grid using the LJ potential:

```python
from fast_grid import calculate_grids
from fast_grid import calculate_grid

calculate_grids(
calculate_grid(
structure="examples/irmof-1.cif",
grid_size=30,
ff_type="UFF",
Expand All @@ -73,9 +73,9 @@ calculate_grids(
Calculate a voxel grid with the Gaussian function:

```python
from fast_grid import calculate_grids
from fast_grid import calculate_grid

calculate_grids(
calculate_grid(
structure="examples/irmof-1.cif",
grid_size=30,
potential="Gaussian",
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