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coefficient map and coefficient gradient computation accessible from …
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…Python, and additional minor revisions
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cmendl committed Jul 29, 2024
1 parent 56de130 commit 23dbde4
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7 changes: 7 additions & 0 deletions examples/chemistry/water_molecule.ipynb
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{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Water molecule"
]
},
{
"cell_type": "markdown",
"metadata": {},
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461 changes: 461 additions & 0 deletions examples/gradients/operator_average.ipynb

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7 changes: 7 additions & 0 deletions examples/python/chemtensor_python.ipynb
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{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"# Python interface of `chemtensor`"
]
},
{
"cell_type": "markdown",
"metadata": {},
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