Add some maths

This commit is contained in:
Paul Brinkmeier 2023-06-21 11:16:52 +02:00
parent eeb83fe268
commit abe7a5e93f
2 changed files with 51 additions and 19 deletions

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@ -2,7 +2,7 @@
"cells": [
{
"cell_type": "code",
"execution_count": 1,
"execution_count": 6,
"id": "e465f900-0a94-46d4-b3c5-23cc0129557b",
"metadata": {},
"outputs": [],
@ -16,7 +16,7 @@
},
{
"cell_type": "code",
"execution_count": 72,
"execution_count": 7,
"id": "b39df788-2971-4974-9ced-1518a47181e8",
"metadata": {},
"outputs": [],
@ -33,7 +33,7 @@
" # c\n",
" bond_bending_constant: float\n",
" \n",
" def make(n_rows: int, n_cols: int) -> ELM:\n",
" def make(n_rows: int, n_cols: int):\n",
" return ELM(\n",
" n_rows,\n",
" n_cols,\n",
@ -118,7 +118,7 @@
},
{
"cell_type": "code",
"execution_count": 77,
"execution_count": 8,
"id": "b4ed52bd-02aa-411a-9af4-be9bb28227bc",
"metadata": {},
"outputs": [
@ -207,7 +207,38 @@
},
{
"cell_type": "code",
"execution_count": 82,
"execution_count": null,
"id": "0f1f9dfd-8266-4874-9ba5-83a8a784d0e9",
"metadata": {},
"outputs": [],
"source": [
"import multiprocessing\n",
"\n",
"def velocity_verlet_step(elm: ELM, delta_t: float) -> ELM:\n",
" new_displacement = elm.displacement + elm.velocity * delta_t + 0.5 * elm.force * delta_t * delta_t\n",
" \n",
" new_force = numpy.zeros((elm.n_rows, elm.n_cols, 2))\n",
"\n",
" def job_force(row):\n",
" for col in range(elm.n_cols):\n",
" new_force[row, col, :] = calculate_force(\n",
" elm,\n",
" new_displacement,\n",
" row,\n",
" col\n",
" )\n",
"\n",
" with multiprocessing.Pool(4) as pool:\n",
" pool.map(new_force, range(elm.n_rows))\n",
" \n",
" new_velocity = elm.velocity + 0.5 * (elm.force + new_force) * delta_t\n",
"\n",
" return ELM(elm.n_rows, elm.n_cols, new_displacement, new_velocity, new_force)"
]
},
{
"cell_type": "code",
"execution_count": 9,
"id": "ff7adc30-191e-4b7c-b146-2a533463d6ea",
"metadata": {},
"outputs": [],
@ -232,7 +263,7 @@
},
{
"cell_type": "code",
"execution_count": 85,
"execution_count": 10,
"id": "bea964bf-6e94-4b72-a458-50c2964bbba1",
"metadata": {},
"outputs": [],
@ -244,14 +275,14 @@
},
{
"cell_type": "code",
"execution_count": 86,
"execution_count": 12,
"id": "421c0fd2-2dba-4fd5-89ff-0968227b08b9",
"metadata": {},
"outputs": [
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "0e9725fa01fe4ff6a520690877b4f5eb",
"model_id": "7d7f0752567340c08c97df22788fc638",
"version_major": 2,
"version_minor": 0
},
@ -268,7 +299,7 @@
"<function __main__.do_plot(i: int) -> None>"
]
},
"execution_count": 86,
"execution_count": 12,
"metadata": {},
"output_type": "execute_result"
}
@ -297,7 +328,7 @@
{
"cell_type": "code",
"execution_count": null,
"id": "38e341e1-de34-41e7-b8e7-1322d27db18b",
"id": "96ab8cf1-8739-4faa-b6b5-70aa52a15a2a",
"metadata": {},
"outputs": [],
"source": []
@ -319,7 +350,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.10.11"
"version": "3.9.13"
}
},
"nbformat": 4,

View File

@ -64,7 +64,7 @@
},
{
"cell_type": "code",
"execution_count": 18,
"execution_count": 4,
"id": "82bb4a02-1ecf-4c84-8b9d-b753dee75337",
"metadata": {},
"outputs": [
@ -78,10 +78,10 @@
{
"data": {
"text/plain": [
"array([-0.14798801, -0.13453456])"
"0"
]
},
"execution_count": 18,
"execution_count": 4,
"metadata": {},
"output_type": "execute_result"
}
@ -99,6 +99,7 @@
"\n",
" print(f\"{j=} {K_ij=} {u_ij=} {x_ij=}\")\n",
"\n",
" return 0\n",
" return -K_ij * np.dot(u_ij, x_ij) * r_ij / np.linalg.norm(r_ij)\n",
"\n",
"def calculate_force_bond(\n",
@ -129,14 +130,14 @@
},
{
"cell_type": "code",
"execution_count": 19,
"execution_count": 8,
"id": "f7a019c2-8d20-4e84-9e0c-ef788781a07a",
"metadata": {},
"outputs": [
{
"data": {
"application/vnd.jupyter.widget-view+json": {
"model_id": "78145432b809422bb171f675b00d05a6",
"model_id": "10515f6b18554cd1bd86dd56891eed2b",
"version_major": 2,
"version_minor": 0
},
@ -153,7 +154,7 @@
"<function __main__.do_plot(dp_x: float, dp_y: float) -> None>"
]
},
"execution_count": 19,
"execution_count": 8,
"metadata": {},
"output_type": "execute_result"
}
@ -191,9 +192,9 @@
" [pi[1]] * len(elastic_ys),\n",
" elastic_xs,\n",
" elastic_ys,\n",
" scale = 5,\n",
" angles = \"xy\",\n",
" pivot = \"tip\",\n",
" scale = 5,\n",
" width = 0.005\n",
" )\n",
" plt.quiver(\n",
@ -247,7 +248,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.10.11"
"version": "3.9.13"
}
},
"nbformat": 4,