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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -31,7 +31,10 @@ method to get started with visualization is through the `Jupyter notebook`_.
3131 :maxdepth: 2
3232 :caption: Examples
3333
34- notebooks/water-demo.ipynb
34+ notebooks/00_index.ipynb
35+ notebooks/01_basics.ipynb
36+ notebooks/02_xyz.ipynb
37+ notebooks/03_orbitals.ipynb
3538 notebooks/nwchem.ipynb
3639 notebooks/qe.ipynb
3740
Original file line number Diff line number Diff line change 1818 "cell_type" : " markdown" ,
1919 "metadata" : {},
2020 "source" : [
21- " ## [Basics of exatomic](01_basics.ipynb)\n " ,
21+ " ## [Basics of exatomic](./ 01_basics.ipynb)\n " ,
2222 " \n " ,
2323 " - Tutorial of basic usage and syntax\n " ,
2424 " - Demonstrates how to load/manipulate dataframe data"
2828 "cell_type" : " markdown" ,
2929 "metadata" : {},
3030 "source" : [
31- " ## [XYZ Tutorial](02_xyz.ipynb)\n " ,
31+ " ## [XYZ Tutorial](./ 02_xyz.ipynb)\n " ,
3232 " \n " ,
3333 " - Load an XYZ trajectory\n " ,
3434 " - Visualize the structure\n " ,
3939 "cell_type" : " markdown" ,
4040 "metadata" : {},
4141 "source" : [
42- " ## [Visualization of Molecular Orbitals](03_orbitals.ipynb)\n " ,
42+ " ## [Visualization of Molecular Orbitals](./ 03_orbitals.ipynb)\n " ,
4343 " \n " ,
4444 " - Tutorial on parsing data from wave function theory software\n " ,
4545 " - Visualization of molecular orbitals\n " ,
5050 "cell_type" : " markdown" ,
5151 "metadata" : {},
5252 "source" : [
53- " # [NWChem](nwchem.ipynb)\n " ,
53+ " # [NWChem](./ nwchem.ipynb)\n " ,
5454 " - [NWChem](https://github.com/nwchemgit/nwchem/wiki) is a computational chemistry software"
5555 ]
5656 },
5757 {
5858 "cell_type" : " markdown" ,
5959 "metadata" : {},
6060 "source" : [
61- " # [QE](qe.ipynb)\n " ,
61+ " # [QE](./ qe.ipynb)\n " ,
6262 " - [QE](https://www.quantum-espresso.org/) is primarily a solid state physics simulation software"
6363 ]
64+ },
65+ {
66+ "cell_type" : " code" ,
67+ "execution_count" : null ,
68+ "metadata" : {},
69+ "outputs" : [],
70+ "source" : []
6471 }
6572 ],
6673 "metadata" : {
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