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Updated docs and fixing old links
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lmhale99 committed Apr 30, 2024
1 parent 20cf99f commit 59bc26f
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2 changes: 1 addition & 1 deletion atomman/defect/Dislocation/__init__.py
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Expand Up @@ -198,7 +198,7 @@ def fromdatabase(cls,
name : str or None, optional
The name of the dislocation record to retrieve from the database.
Alternatively, you can use any other query keyword arguments supported
by the dislocation record style (see **kwargs below for more info).
by the dislocation record style (see \*\*kwargs below for more info).
ucell : atomman.System or None, optional
The unit cell to use in generating the system. If None (default), then
the crystal_prototype record that matches the defect's family setting
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2 changes: 1 addition & 1 deletion atomman/defect/FreeSurface.py
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Expand Up @@ -212,7 +212,7 @@ def fromdatabase(cls,
name : str or None, optional
The name of the free_surface record to retrieve from the database.
Alternatively, you can use any other query keyword arguments supported
by the free_surface record style (see **kwargs below for more info).
by the free_surface record style (see \*\*kwargs below for more info).
ucell : atomman.System or None, optional
The unit cell to use in generating the system. If None (default), then
the crystal_prototype record that matches the defect's family setting
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2 changes: 1 addition & 1 deletion atomman/defect/StackingFault.py
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Expand Up @@ -175,7 +175,7 @@ def fromdatabase(cls,
name : str or None, optional
The name of the stacking_fault record to retrieve from the database.
Alternatively, you can use any other query keyword arguments supported
by the stacking_fault record style (see **kwargs below for more info).
by the stacking_fault record style (see \*\*kwargs below for more info).
ucell : atomman.System or None, optional
The unit cell to use in generating the system. If None (default), then
the crystal_prototype record that matches the defect's family setting
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2 changes: 1 addition & 1 deletion doc/html/.buildinfo
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@@ -1,4 +1,4 @@
# Sphinx build info version 1
# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
config: a24cbfd7a044f7c1f28b50fcb55ee319
config: 86549e68ec727ba47da5ceaf7d21be82
tags: 645f666f9bcd5a90fca523b33c5a78b7
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68 changes: 28 additions & 40 deletions doc/html/.doctrees/nbsphinx/tutorial/0._Unit_conversions.ipynb
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Expand Up @@ -44,24 +44,12 @@
"tags": []
},
"outputs": [
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "6654e02fe97f47dfa2fc4db31d3ea538",
"version_major": 2,
"version_minor": 0
},
"text/plain": []
},
"metadata": {},
"output_type": "display_data"
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"atomman version = 1.4.10\n",
"Notebook executed on 2023-07-28\n"
"atomman version = 1.4.11\n",
"Notebook executed on 2024-04-29\n"
]
}
],
Expand Down Expand Up @@ -231,15 +219,15 @@
"name": "stdout",
"output_type": "stream",
"text": [
"angstrom = 1.4191243424094714e-12\n",
"amu = 2.8577039616406894e-27\n",
"eV = 5.328594872559533e-26\n",
"e = 1.6325720115916934e-18\n",
"K = 0.17176160943193114\n",
"nm = 1.4191243424094715e-11\n",
"g = 0.0017209495513357104\n",
"J = 3.325847325120542e-07\n",
"ps = 3.2281474606461375e-11\n"
"angstrom = 5.600878467584771e-10\n",
"amu = 9.610217188572792e-28\n",
"eV = 3.2016069566128865e-22\n",
"e = 8.43287354913381e-18\n",
"K = 14.973876783292686\n",
"nm = 5.600878467584771e-09\n",
"g = 0.0005787408066375686\n",
"J = 0.001998285887255604\n",
"ps = 9.531678627120866e-11\n"
]
}
],
Expand Down Expand Up @@ -749,18 +737,18 @@
"text": [
"{\n",
" \"value\": [\n",
" 0.01004403654185057,\n",
" 0.020656878915057856,\n",
" 0.029214965887450112,\n",
" 0.040306012922664336,\n",
" 0.04954549658639971\n",
" 0.010573998704568247,\n",
" 0.020550301777721776,\n",
" 0.029963592945213675,\n",
" 0.04079673469155252,\n",
" 0.049618650315530734\n",
" ],\n",
" \"error\": [\n",
" 0.0019546543962901085,\n",
" 0.0019815859329668237,\n",
" 0.0019447626366320926,\n",
" 0.0019429728156574704,\n",
" 0.002085436036518905\n",
" 0.0020089189147024338,\n",
" 0.0020843988956897527,\n",
" 0.002030431578028036,\n",
" 0.001993658438717888,\n",
" 0.001915696809118872\n",
" ],\n",
" \"unit\": \"m\"\n",
"}\n"
Expand Down Expand Up @@ -797,8 +785,8 @@
"name": "stdout",
"output_type": "stream",
"text": [
"value = [10.04403654 20.65687892 29.21496589 40.30601292 49.54549659] mm\n",
"error = [1.9546544 1.98158593 1.94476264 1.94297282 2.08543604] mm\n"
"value = [10.5739987 20.55030178 29.96359295 40.79673469 49.61865032] mm\n",
"error = [2.00891891 2.0843989 2.03043158 1.99365844 1.91569681] mm\n"
]
}
],
Expand Down Expand Up @@ -855,8 +843,8 @@
"name": "stdout",
"output_type": "stream",
"text": [
"57 s = 3.111008195072701e-09 GPa\n",
"57 s = 0.0033804807501133854 GPa\n"
"57 s = 0.028954887018440553 GPa\n",
"57 s = 2.385524541195933 GPa\n"
]
}
],
Expand Down Expand Up @@ -885,9 +873,9 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3 (ipykernel)",
"display_name": "Python 311",
"language": "python",
"name": "python3"
"name": "py11"
},
"language_info": {
"codemirror_mode": {
Expand All @@ -899,7 +887,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.11.3"
"version": "3.11.5"
}
},
"nbformat": 4,
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70 changes: 29 additions & 41 deletions doc/html/.doctrees/nbsphinx/tutorial/1.1._Box_class.ipynb
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Expand Up @@ -40,24 +40,12 @@
"execution_count": 1,
"metadata": {},
"outputs": [
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "bffe9c18f2d447de96f6524a781fbc0e",
"version_major": 2,
"version_minor": 0
},
"text/plain": []
},
"metadata": {},
"output_type": "display_data"
},
{
"name": "stdout",
"output_type": "stream",
"text": [
"atomman version = 1.4.10\n",
"Notebook executed on 2023-07-28\n"
"atomman version = 1.4.11\n",
"Notebook executed on 2024-04-29\n"
]
}
],
Expand Down Expand Up @@ -250,10 +238,10 @@
"name": "stdout",
"output_type": "stream",
"text": [
"avect = [ 0.758, 0.421, 3.528]\n",
"bvect = [ 1.131, 2.927, 0.314]\n",
"cvect = [ 0.966, 2.736, 3.084]\n",
"origin = [ 0.540, 0.499, 0.814]\n"
"avect = [ 0.493, 3.072, 2.180]\n",
"bvect = [ 3.052, 2.434, 1.904]\n",
"cvect = [ 1.149, 2.004, 1.151]\n",
"origin = [ 0.614, 0.488, 0.655]\n"
]
}
],
Expand Down Expand Up @@ -763,26 +751,26 @@
"name": "stdout",
"output_type": "stream",
"text": [
"[[0.55155781 2.49380003 9.3967093 ]\n",
" [3.3184798 1.20799191 7.13164885]\n",
" [9.01978498 6.83706011 4.93770814]\n",
" [2.28427281 8.89576691 1.36390599]\n",
" [9.13244568 8.95582225 0.6753787 ]\n",
" [8.82825304 5.60954094 4.37509114]\n",
" [8.72884521 6.66389441 0.27514523]\n",
" [7.71076227 9.11630048 7.75768688]\n",
" [9.48224726 2.40686471 8.43615747]\n",
" [3.19980874 3.80016388 2.24761004]\n",
" [4.48075767 6.73926091 1.42195919]\n",
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" [7.72580749 7.54518157 4.28075216]\n",
" [1.18750119 3.26711573 4.83214076]\n",
" [7.90676427 8.19921855 8.48659655]\n",
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" [6.50309524 6.88621626 1.06736169]]\n"
"[[8.81160358 2.71676184 0.7609669 ]\n",
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]
}
],
Expand Down Expand Up @@ -973,9 +961,9 @@
],
"metadata": {
"kernelspec": {
"display_name": "Python 3 (ipykernel)",
"display_name": "Python 311",
"language": "python",
"name": "python3"
"name": "py11"
},
"language_info": {
"codemirror_mode": {
Expand All @@ -987,7 +975,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.11.3"
"version": "3.11.5"
}
},
"nbformat": 4,
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