Skip to content

Commit

Permalink
Fix docs
Browse files Browse the repository at this point in the history
  • Loading branch information
marvinfriede committed Dec 22, 2023
1 parent dd31c0b commit 821d7c4
Show file tree
Hide file tree
Showing 2 changed files with 3 additions and 1 deletion.
1 change: 1 addition & 0 deletions README.rst
Original file line number Diff line number Diff line change
Expand Up @@ -140,6 +140,7 @@ The following example shows how to calculate the DFT-D4 dispersion energy for a
import torch
import tad_dftd4 as d4
import tad_mctc as mctc
numbers = mctc.convert.symbol_to_number(symbols="C C C C N C S H H H H H".split())
Expand Down
3 changes: 2 additions & 1 deletion docs/index.rst
Original file line number Diff line number Diff line change
Expand Up @@ -56,8 +56,9 @@ The following example shows how to calculate the DFT-D4 dispersion energy for a
import torch
import tad_dftd4 as d4
import tad_mctc as mctc
numbers = d4.utils.to_number(symbols="C C C C N C S H H H H H".split())
numbers = mctc.convert.symbol_to_number(symbols="C C C C N C S H H H H H".split())
# coordinates in Bohr
positions = torch.tensor(
Expand Down

0 comments on commit 821d7c4

Please sign in to comment.