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Update environment.yml
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zhubonan committed Apr 27, 2023
1 parent c79232a commit af5bf55
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2 changes: 2 additions & 0 deletions binder/environment.yml
Expand Up @@ -4,5 +4,7 @@ channels:
dependencies:
- airss
- ase
- pandas
- pip:
- castepinput
- airsspy
2 changes: 1 addition & 1 deletion examples/example-1.1.ipynb
Expand Up @@ -16,7 +16,7 @@
"outputs": [],
"source": [
"from airsspy import SeedAtoms, Buildcell\n",
"from ipypb import ipb as tqdm\n",
"from tqdm.auto import tqdm\n",
"\n",
"# Import ase assets\n",
"from ase.optimize import BFGSLineSearch, sciopt, FIRE, BFGS, precon\n",
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2 changes: 1 addition & 1 deletion examples/example-1.12.ipynb
Expand Up @@ -17,7 +17,7 @@
"outputs": [],
"source": [
"from airsspy import SeedAtoms, Buildcell\n",
"from ipypb import ipb as tqdm\n",
"from tqdm.auto import tqdm\n",
"\n",
"# Import ase assets\n",
"from ase import Atoms"
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6 changes: 3 additions & 3 deletions examples/example-lj-cluster.ipynb
Expand Up @@ -33,7 +33,7 @@
"from airsspy import SeedAtoms, Buildcell\n",
"import pandas as pd\n",
"from ase.visualize import view\n",
"from ipypb import ipb as tqdm"
"from tqdm.auto import tqdm"
]
},
{
Expand Down Expand Up @@ -286,7 +286,7 @@
"<span class=\"Time-label\">[00:17<00:00, 0.17s/it]</span></div>"
],
"text/plain": [
"\u001b[A\u001b[2K\r",
"\u001b[A\u001b[2K\r\n",
" [████████████████████████████████████████████████████████████] 100/100 [00:17<00:00, 0.17s/it]"
]
},
Expand Down Expand Up @@ -359,7 +359,7 @@
},
{
"data": {
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\n",
"image/png": 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",
"text/plain": [
"<Figure size 432x288 with 1 Axes>"
]
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