|
3511 | 3511 | }, |
3512 | 3512 | { |
3513 | 3513 | "cell_type": "code", |
3514 | | - "execution_count": 1, |
| 3514 | + "execution_count": 2, |
3515 | 3515 | "id": "36ce22d9", |
3516 | 3516 | "metadata": { |
3517 | 3517 | "collapsed": false, |
3518 | | - "editable": true |
3519 | | - }, |
3520 | | - "outputs": [], |
| 3518 | + "editable": true, |
| 3519 | + "jupyter": { |
| 3520 | + "outputs_hidden": false |
| 3521 | + } |
| 3522 | + }, |
| 3523 | + "outputs": [ |
| 3524 | + { |
| 3525 | + "name": "stdout", |
| 3526 | + "output_type": "stream", |
| 3527 | + "text": [ |
| 3528 | + "Energy: 3.315295429024827\n", |
| 3529 | + "Energy: 3.28434455415044\n", |
| 3530 | + "Energy: 3.2004980417524713\n", |
| 3531 | + "Energy: 3.2373562857089064\n", |
| 3532 | + "Energy: 3.2493386742351724\n", |
| 3533 | + "Energy: 3.274629200457439\n", |
| 3534 | + "Energy: 3.243872678910606\n", |
| 3535 | + "Energy: 3.139298330877709\n", |
| 3536 | + "Energy: 3.2175527686408327\n", |
| 3537 | + "Energy: 3.1955780518815566\n", |
| 3538 | + "Energy: 3.2293765423874636\n", |
| 3539 | + "Energy: 3.1815608251015157\n", |
| 3540 | + "Energy: 3.268115208664579\n", |
| 3541 | + "Energy: 3.2596662502249387\n", |
| 3542 | + "Energy: 3.271858944031321\n", |
| 3543 | + "Energy: 3.163238364159477\n", |
| 3544 | + "Energy: 3.3142042251679666\n", |
| 3545 | + "Energy: 3.1728646837080343\n", |
| 3546 | + "Energy: 3.2537080963735634\n", |
| 3547 | + "Energy: 3.183004129867898\n", |
| 3548 | + "Energy: 3.286753393195322\n", |
| 3549 | + "Energy: 3.248567796860383\n", |
| 3550 | + "Energy: 3.195459379516396\n", |
| 3551 | + "Energy: 3.2509522774764057\n", |
| 3552 | + "Energy: 3.1943095198987295\n", |
| 3553 | + "Energy: 3.213365379782774\n", |
| 3554 | + "Energy: 3.2226551762340154\n", |
| 3555 | + "Energy: 3.224228139360484\n", |
| 3556 | + "Energy: 3.253279341361477\n", |
| 3557 | + "Energy: 3.201953834510266\n", |
| 3558 | + "Energy: 3.2761787649487584\n", |
| 3559 | + "Energy: 3.222407422167593\n", |
| 3560 | + "Energy: 3.2594884664351778\n", |
| 3561 | + "Energy: 3.321625864053239\n", |
| 3562 | + "Energy: 3.252416003464378\n", |
| 3563 | + "Energy: 3.2143010193040396\n", |
| 3564 | + "Energy: 3.2751528493846154\n", |
| 3565 | + "Energy: 3.211535361740847\n", |
| 3566 | + "Energy: 3.1944155758486086\n", |
| 3567 | + "Energy: 3.292990915234817\n", |
| 3568 | + "Energy: 3.1766825824230027\n", |
| 3569 | + "Energy: 3.256693159555636\n", |
| 3570 | + "Energy: 3.2532840170499613\n", |
| 3571 | + "Energy: 3.2683184365302025\n", |
| 3572 | + "Energy: 3.282869928805521\n", |
| 3573 | + "Energy: 3.2081398233839753\n", |
| 3574 | + "Energy: 3.274989782594097\n", |
| 3575 | + "Energy: 3.2334233828629966\n", |
| 3576 | + "Energy: 3.314517094987515\n", |
| 3577 | + "Energy: 3.2223394582979057\n" |
| 3578 | + ] |
| 3579 | + }, |
| 3580 | + { |
| 3581 | + "ename": "OptionError", |
| 3582 | + "evalue": "'Pattern matched multiple keys'", |
| 3583 | + "output_type": "error", |
| 3584 | + "traceback": [ |
| 3585 | + "\u001b[0;31m---------------------------------------------------------------------------\u001b[0m", |
| 3586 | + "\u001b[0;31mOptionError\u001b[0m Traceback (most recent call last)", |
| 3587 | + "Cell \u001b[0;32mIn[2], line 253\u001b[0m\n\u001b[1;32m 251\u001b[0m \u001b[38;5;28;01mimport\u001b[39;00m \u001b[38;5;21;01mpandas\u001b[39;00m \u001b[38;5;28;01mas\u001b[39;00m \u001b[38;5;21;01mpd\u001b[39;00m\n\u001b[1;32m 252\u001b[0m \u001b[38;5;28;01mfrom\u001b[39;00m \u001b[38;5;21;01mpandas\u001b[39;00m \u001b[38;5;28;01mimport\u001b[39;00m DataFrame\n\u001b[0;32m--> 253\u001b[0m \u001b[43mpd\u001b[49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[43mset_option\u001b[49m\u001b[43m(\u001b[49m\u001b[38;5;124;43m'\u001b[39;49m\u001b[38;5;124;43mmax_columns\u001b[39;49m\u001b[38;5;124;43m'\u001b[39;49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m6\u001b[39;49m\u001b[43m)\u001b[49m\n\u001b[1;32m 254\u001b[0m data \u001b[38;5;241m=\u001b[39m{\u001b[38;5;124m'\u001b[39m\u001b[38;5;124mEnergy\u001b[39m\u001b[38;5;124m'\u001b[39m:Energies}\u001b[38;5;66;03m#,'A Derivative':EnergyDerivatives1,'B Derivative':EnergyDerivatives2,'Weights Derivative':EnergyDerivatives3}\u001b[39;00m\n\u001b[1;32m 256\u001b[0m frame \u001b[38;5;241m=\u001b[39m pd\u001b[38;5;241m.\u001b[39mDataFrame(data)\n", |
| 3588 | + "File \u001b[0;32m~/miniforge3/envs/myenv/lib/python3.9/site-packages/pandas/_config/config.py:261\u001b[0m, in \u001b[0;36mCallableDynamicDoc.__call__\u001b[0;34m(self, *args, **kwds)\u001b[0m\n\u001b[1;32m 260\u001b[0m \u001b[38;5;28;01mdef\u001b[39;00m \u001b[38;5;21m__call__\u001b[39m(\u001b[38;5;28mself\u001b[39m, \u001b[38;5;241m*\u001b[39margs, \u001b[38;5;241m*\u001b[39m\u001b[38;5;241m*\u001b[39mkwds) \u001b[38;5;241m-\u001b[39m\u001b[38;5;241m>\u001b[39m T:\n\u001b[0;32m--> 261\u001b[0m \u001b[38;5;28;01mreturn\u001b[39;00m \u001b[38;5;28;43mself\u001b[39;49m\u001b[38;5;241;43m.\u001b[39;49m\u001b[38;5;18;43m__func__\u001b[39;49m\u001b[43m(\u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43margs\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[38;5;241;43m*\u001b[39;49m\u001b[43mkwds\u001b[49m\u001b[43m)\u001b[49m\n", |
| 3589 | + "File \u001b[0;32m~/miniforge3/envs/myenv/lib/python3.9/site-packages/pandas/_config/config.py:156\u001b[0m, in \u001b[0;36m_set_option\u001b[0;34m(*args, **kwargs)\u001b[0m\n\u001b[1;32m 153\u001b[0m \u001b[38;5;28;01mraise\u001b[39;00m \u001b[38;5;167;01mTypeError\u001b[39;00m(\u001b[38;5;124mf\u001b[39m\u001b[38;5;124m'\u001b[39m\u001b[38;5;124m_set_option() got an unexpected keyword argument \u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;132;01m{\u001b[39;00mkwarg\u001b[38;5;132;01m}\u001b[39;00m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124m'\u001b[39m)\n\u001b[1;32m 155\u001b[0m \u001b[38;5;28;01mfor\u001b[39;00m k, v \u001b[38;5;129;01min\u001b[39;00m \u001b[38;5;28mzip\u001b[39m(args[::\u001b[38;5;241m2\u001b[39m], args[\u001b[38;5;241m1\u001b[39m::\u001b[38;5;241m2\u001b[39m]):\n\u001b[0;32m--> 156\u001b[0m key \u001b[38;5;241m=\u001b[39m \u001b[43m_get_single_key\u001b[49m\u001b[43m(\u001b[49m\u001b[43mk\u001b[49m\u001b[43m,\u001b[49m\u001b[43m \u001b[49m\u001b[43msilent\u001b[49m\u001b[43m)\u001b[49m\n\u001b[1;32m 158\u001b[0m o \u001b[38;5;241m=\u001b[39m _get_registered_option(key)\n\u001b[1;32m 159\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m o \u001b[38;5;129;01mand\u001b[39;00m o\u001b[38;5;241m.\u001b[39mvalidator:\n", |
| 3590 | + "File \u001b[0;32m~/miniforge3/envs/myenv/lib/python3.9/site-packages/pandas/_config/config.py:123\u001b[0m, in \u001b[0;36m_get_single_key\u001b[0;34m(pat, silent)\u001b[0m\n\u001b[1;32m 121\u001b[0m \u001b[38;5;28;01mraise\u001b[39;00m OptionError(\u001b[38;5;124mf\u001b[39m\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mNo such keys(s): \u001b[39m\u001b[38;5;132;01m{\u001b[39;00m\u001b[38;5;28mrepr\u001b[39m(pat)\u001b[38;5;132;01m}\u001b[39;00m\u001b[38;5;124m\"\u001b[39m)\n\u001b[1;32m 122\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;28mlen\u001b[39m(keys) \u001b[38;5;241m>\u001b[39m \u001b[38;5;241m1\u001b[39m:\n\u001b[0;32m--> 123\u001b[0m \u001b[38;5;28;01mraise\u001b[39;00m OptionError(\u001b[38;5;124m\"\u001b[39m\u001b[38;5;124mPattern matched multiple keys\u001b[39m\u001b[38;5;124m\"\u001b[39m)\n\u001b[1;32m 124\u001b[0m key \u001b[38;5;241m=\u001b[39m keys[\u001b[38;5;241m0\u001b[39m]\n\u001b[1;32m 126\u001b[0m \u001b[38;5;28;01mif\u001b[39;00m \u001b[38;5;129;01mnot\u001b[39;00m silent:\n", |
| 3591 | + "\u001b[0;31mOptionError\u001b[0m: 'Pattern matched multiple keys'" |
| 3592 | + ] |
| 3593 | + } |
| 3594 | + ], |
3521 | 3595 | "source": [ |
3522 | 3596 | "%matplotlib inline\n", |
3523 | 3597 | "\n", |
|
3732 | 3806 | "Dimension = 2\n", |
3733 | 3807 | "NumberHidden = 2\n", |
3734 | 3808 | "\n", |
3735 | | - "interaction=False\n", |
| 3809 | + "interaction=True\n", |
3736 | 3810 | "\n", |
3737 | 3811 | "# guess for parameters\n", |
3738 | 3812 | "a=np.random.normal(loc=0.0, scale=0.001, size=(NumberParticles,Dimension))\n", |
|
3777 | 3851 | "frame = pd.DataFrame(data)\n", |
3778 | 3852 | "print(frame)" |
3779 | 3853 | ] |
| 3854 | + }, |
| 3855 | + { |
| 3856 | + "cell_type": "code", |
| 3857 | + "execution_count": null, |
| 3858 | + "id": "d79c2730-104d-412a-8295-197c9dd1d301", |
| 3859 | + "metadata": {}, |
| 3860 | + "outputs": [], |
| 3861 | + "source": [] |
3780 | 3862 | } |
3781 | 3863 | ], |
3782 | | - "metadata": {}, |
| 3864 | + "metadata": { |
| 3865 | + "kernelspec": { |
| 3866 | + "display_name": "Python 3 (ipykernel)", |
| 3867 | + "language": "python", |
| 3868 | + "name": "python3" |
| 3869 | + }, |
| 3870 | + "language_info": { |
| 3871 | + "codemirror_mode": { |
| 3872 | + "name": "ipython", |
| 3873 | + "version": 3 |
| 3874 | + }, |
| 3875 | + "file_extension": ".py", |
| 3876 | + "mimetype": "text/x-python", |
| 3877 | + "name": "python", |
| 3878 | + "nbconvert_exporter": "python", |
| 3879 | + "pygments_lexer": "ipython3", |
| 3880 | + "version": "3.9.15" |
| 3881 | + } |
| 3882 | + }, |
3783 | 3883 | "nbformat": 4, |
3784 | 3884 | "nbformat_minor": 5 |
3785 | 3885 | } |
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