fabianzott
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electricity_price_pred Public
Predicting the Day-Ahead prices of EEX
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home_automation_IoT Public
Collection of some of my home automation projects using MQTT protocol and HiveMQ IoT Server
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dotfiles Public
Forked from lewagon/dotfilesDefault configuration for Le Wagon's students
Shell MIT License UpdatedOct 6, 2023 -
get_data_BDE Public
Get data from ORCA and Gaussian output file for SMD(H2O)/DLPNO-CCSD(T)/CBS//(U)B3LYP-D3/6-31+G(d,p) level of theory
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steadystate_analysis Public
Automated steady-state analysis with CoPaSi using the BASICO package
Python MIT License UpdatedSep 12, 2023 -
get_cbs Public
Complete Basis Set (CBS) Extrapolation from CCSD(T)/cc-pVTZ and CCSD(T)/cc-pVQZ Single Point Energies
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LRZ_scripts Public
Here are some useful scripts for the LRZ Linux Cluster (Leibnitz Rechenzentrum, Munich, Germany). They can be used, after adaption, for any Linux Cluster using Gaussian 09/16 or ORCA and SLURM as w…
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GeoCentroidAnalysis Public
Compares structures and sorts out dublicates by geeomtric centroid and E_tot abalysis
Python MIT License UpdatedSep 7, 2023