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Docs work #15

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65 changes: 65 additions & 0 deletions docs/notebooks/Spatial_dependance.ipynb
Original file line number Diff line number Diff line change
@@ -0,0 +1,65 @@
{
"cells": [
{
"cell_type": "markdown",
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"source": [
"# Spatial dependance"
]
},
{
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"id": "1e1703f0",
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"source": [
"In folie, there is several possibilities for the spatial dependances of the drift and diffusion. This section"
]
},
{
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"execution_count": null,
"id": "6bca058b",
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{
"cell_type": "code",
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"id": "7f59717c",
"metadata": {},
"outputs": [],
"source": []
},
{
"cell_type": "markdown",
"id": "838af326",
"metadata": {},
"source": [
"## Multi dimensionnal system"
]
}
],
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"language": "python",
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51 changes: 48 additions & 3 deletions docs/notebooks/estimation.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -239,13 +239,58 @@
"\n",
"Likelihood estimator are parallelized using n_jobs=<wanted number of cores> with computation of likelihood being parallelized over trajectories."
]
},
{
"cell_type": "markdown",
"id": "c3b93410",
"metadata": {},
"source": [
"## Units"
]
},
{
"cell_type": "markdown",
"id": "d026be73",
"metadata": {},
"source": [
"folie work in units of CV and units of time. Those units are defined on the loading as the units of the inputs array."
]
},
{
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"execution_count": null,
"id": "214fa4ac",
"metadata": {},
"outputs": [],
"source": [
"data = fl.Trajectories(dt=1.0e-3) # This define the units of time\n",
"n=1 # Let's use the first molecule.\n",
"trj = np.loadtxt(f\"DATA\")\n",
"data.append(trj.reshape(-1,1)) # This define the units of the CV"
]
},
{
"cell_type": "markdown",
"id": "a0d4a9db",
"metadata": {},
"source": [
"This means we have for the units of the various quantity, if L is the units of the CV and T the units of time\n",
"\n",
"| Quantity | Unit |\n",
"|-------------|-----------------|\n",
"| Drift | $L. T^{-1}$ |\n",
"|-------------|-----------------|\n",
"| Diffusion | $L^2 .T^{-1}   |\n",
"|-------------|-----------------|\n",
"| Free energy | Units of $K_bT$ |"
]
}
],
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"display_name": "Python 3.8",
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Expand All @@ -257,7 +302,7 @@
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"nbformat": 4,
Expand Down