Skip to content

Commit 3984710

Browse files
committed
updated examples after tutorial
Signed-off-by: Nick Papior <nickpapior@gmail.com>
1 parent 3622d75 commit 3984710

3 files changed

Lines changed: 6 additions & 59 deletions

File tree

06/run.ipynb

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -313,7 +313,9 @@
313313
"cell_type": "markdown",
314314
"metadata": {},
315315
"source": [
316-
"Spectral density of states for all electrodes:"
316+
"Spectral density of states for all electrodes:\n",
317+
"- As a final exercise you can explore the details of the density of states for single atoms. Take for instance atom 205 (204 in Python index) which is in *both* GNR at the crossing. \n",
318+
"Feel free to play around with different atoms, subset of atoms (pass a `list`) etc. "
317319
]
318320
},
319321
{
@@ -331,8 +333,6 @@
331333
"cell_type": "markdown",
332334
"metadata": {},
333335
"source": [
334-
"- As a final exercise you can explore the details of the density of states for single atoms. Take for instance atom 205 (204 in Python index) which is in *both* GNR at the crossing. \n",
335-
"Feel free to play around with different atoms, subset of atoms (pass a `list`) etc. \n",
336336
"- For 2D structures one can easily plot the DOS per atom via a scatter plot in `matplotlib`, here is the skeleton code for that, you should select an energy point and figure out how to extract the atom resolved DOS (you will need to look-up the documentation for the `ADOS` method to figure out which flag to use."
337337
]
338338
},

07/run.ipynb

Lines changed: 0 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -150,7 +150,6 @@
150150
" print(' {}'.format(i+1), end=',')\n",
151151
" # Calculate H(Phi)\n",
152152
" #dH = ... math.e ** (0.5j ...) ...\n",
153-
" dH = nn * (math.e ** (0.5j * xy / rec_phi) - 1)\n",
154153
"\n",
155154
" with sisl.get_sile('M_{}.dH.nc'.format(rec_phi), mode='w') as fh:\n",
156155
" fh.write_delta(dH)"

tutorial.ipynb

Lines changed: 3 additions & 55 deletions
Original file line numberDiff line numberDiff line change
@@ -2,7 +2,7 @@
22
"cells": [
33
{
44
"cell_type": "code",
5-
"execution_count": 2,
5+
"execution_count": null,
66
"metadata": {},
77
"outputs": [],
88
"source": [
@@ -47,54 +47,9 @@
4747
},
4848
{
4949
"cell_type": "code",
50-
"execution_count": 3,
50+
"execution_count": null,
5151
"metadata": {},
52-
"outputs": [
53-
{
54-
"name": "stdout",
55-
"output_type": "stream",
56-
"text": [
57-
"Help on method tile in module sisl.geometry:\n",
58-
"\n",
59-
"tile(self, reps, axis) unbound sisl.geometry.Geometry method\n",
60-
" Tile the geometry to create a bigger one\n",
61-
" \n",
62-
" The atomic indices are retained for the base structure.\n",
63-
" \n",
64-
" Parameters\n",
65-
" ----------\n",
66-
" reps : int\n",
67-
" number of tiles (repetitions)\n",
68-
" axis : int\n",
69-
" direction of tiling, 0, 1, 2 according to the cell-direction\n",
70-
" \n",
71-
" Examples\n",
72-
" --------\n",
73-
" >>> geom = Geometry([[0, 0, 0], [0.5, 0, 0]], sc=1.)\n",
74-
" >>> g = geom.tile(2,axis=0)\n",
75-
" >>> print(g.xyz)\n",
76-
" [[ 0. 0. 0. ]\n",
77-
" [ 0.5 0. 0. ]\n",
78-
" [ 1. 0. 0. ]\n",
79-
" [ 1.5 0. 0. ]]\n",
80-
" >>> g = geom.tile(2,0).tile(2,axis=1)\n",
81-
" >>> print(g.xyz)\n",
82-
" [[ 0. 0. 0. ]\n",
83-
" [ 0.5 0. 0. ]\n",
84-
" [ 1. 0. 0. ]\n",
85-
" [ 1.5 0. 0. ]\n",
86-
" [ 0. 1. 0. ]\n",
87-
" [ 0.5 1. 0. ]\n",
88-
" [ 1. 1. 0. ]\n",
89-
" [ 1.5 1. 0. ]]\n",
90-
" \n",
91-
" See Also\n",
92-
" --------\n",
93-
" repeat : equivalent but different ordering of final structure\n",
94-
"\n"
95-
]
96-
}
97-
],
52+
"outputs": [],
9853
"source": [
9954
"%pdoc sisl.Geometry.tile\n",
10055
"help(sisl.Geometry.tile)"
@@ -212,13 +167,6 @@
212167
"- [Advanced 04](A04/run.ipynb) \n",
213168
" Create a 3rd nearest neighbour graphene model."
214169
]
215-
},
216-
{
217-
"cell_type": "code",
218-
"execution_count": null,
219-
"metadata": {},
220-
"outputs": [],
221-
"source": []
222170
}
223171
],
224172
"metadata": {

0 commit comments

Comments
 (0)