imagdau
commented
1 year ago Hi,
Here's the notebook deepnote https://deepnote.com/workspace/ioan-bogdan-magdau-00195eee-2451-4f21-a901-fac6c0d22b2c/project/GAP-liquid-solvent-tutorial-ca2046f3-c62f-4f79-92cb-f1198bcebf68/notebook/notebook-0fad9c7b042442a685d779c770a01c64 We also have a related manuscript in review 10.26434/chemrxiv-2022-l4tb9 https://doi.org/10.26434/chemrxiv-2022-l4tb9
Best wishes, Ioan
On Tue, Feb 7, 2023 at 5:03 AM lastconnor123 @.***> wrote:
Hello QUIP package managers,
I found a jupyter notebook written by Ioan-Bogdan Magdău and Gábor Csányi titled "Gaussian Approximation Potential of EC/EMC Solvent". I am interested in it as it provides a detailed step-by-step guide for building custom interatomic potentials using GAP and Quippy.
I found this notebook nearly a year ago but can't find its source. In the interest of being able to cite it, I'd like to know its source. I thought I remembered finding it in this git repository but since I no longer can I suspect it has since been removed. If it is available elsewhere please let me know.
The notebook should be attached in a .zip file with this message
GAP_ECEMC_potential.zip https://github.com/libAtoms/QUIP/files/10671662/GAP_ECEMC_potential.zip
— Reply to this email directly, view it on GitHub https://github.com/libAtoms/QUIP/issues/551, or unsubscribe https://github.com/notifications/unsubscribe-auth/ABWF4K77FWXA33U736SFRWTWWHJRDANCNFSM6AAAAAAUTP4ATI . You are receiving this because you are subscribed to this thread.Message ID: @.***>
Hello QUIP package managers,
I found a jupyter notebook written by Ioan-Bogdan Magdău and Gábor Csányi titled "Gaussian Approximation Potential of EC/EMC Solvent". I am interested in it as it provides a detailed step-by-step guide for building custom interatomic potentials using GAP and Quippy.
I found this notebook nearly a year ago but can't find its source. In the interest of being able to cite it, I'd like to know its source. I thought I remembered finding it in this git repository but since I no longer can I suspect it has since been removed. If it is available elsewhere please let me know.
The notebook should be attached in a .zip file with this message
GAP_ECEMC_potential.zip