Skip to content

Commit 96b1e5b

Browse files
committed
No github style codeblocks in notebook markdown
1 parent 7e5bf8a commit 96b1e5b

1 file changed

Lines changed: 12 additions & 6 deletions

File tree

docs/source/notebooks/03_orbitals.ipynb

Lines changed: 12 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -28,25 +28,26 @@
2828
"- First you parse the output \n",
2929
" - must contain full basis set specification and a matrix of basis function coefficients\n",
3030
" \n",
31-
"```python\n",
31+
"```\n",
3232
"ed = exatomic.myqmcode.Output('/path/to/my/output')\n",
3333
"```\n",
34+
"\n",
3435
"- Inspect the parsed data. Does it look correct?\n",
3536
"\n",
36-
"```python\n",
37+
"```\n",
3738
"ed.basis_set # houses primitive exponents, coefficients\n",
3839
"ed.momatrix # contains the basis function coefficients\n",
3940
"ed.basis_set_order # indices specifying full basis set order\n",
4041
"```\n",
4142
"- `ed` is an Editor, an object that makes parsing files fun!\n",
4243
" - `ed` must be converted to a universe for the magic to happen\n",
4344
"\n",
44-
"```python\n",
45+
"```\n",
4546
"uni = ed.to_universe()\n",
4647
"```\n",
4748
"- A Universe has an add_molecular_orbitals method\n",
4849
"\n",
49-
"```python\n",
50+
"```\n",
5051
"uni.add_molecular_orbitals? # to see all keyword arguments\n",
5152
"uni.add_molecular_orbitals() # tries to guess smart defaults\n",
5253
"```\n",
@@ -65,6 +66,7 @@
6566
"cell_type": "code",
6667
"execution_count": 2,
6768
"metadata": {
69+
"collapsed": true,
6870
"scrolled": true
6971
},
7072
"outputs": [],
@@ -426,7 +428,9 @@
426428
{
427429
"cell_type": "code",
428430
"execution_count": 8,
429-
"metadata": {},
431+
"metadata": {
432+
"collapsed": true
433+
},
430434
"outputs": [],
431435
"source": [
432436
"from exatomic import molcas\n",
@@ -494,7 +498,9 @@
494498
{
495499
"cell_type": "code",
496500
"execution_count": 11,
497-
"metadata": {},
501+
"metadata": {
502+
"collapsed": true
503+
},
498504
"outputs": [],
499505
"source": [
500506
"from exatomic import nwchem\n",

0 commit comments

Comments
 (0)