Popular repositories

1. electricity_price_pred electricity_price_pred Public

   Predicting the Day-Ahead prices of EEX

   Jupyter Notebook 3 1

2. LRZ_scripts 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…

   Python 2

3. home_automation_IoT home_automation_IoT Public

   Collection of some of my home automation projects using MQTT protocol and HiveMQ IoT Server

   Python 2 1

4. get_cbs get_cbs Public

   Complete Basis Set (CBS) Extrapolation from CCSD(T)/cc-pVTZ and CCSD(T)/cc-pVQZ Single Point Energies

   Python 1

5. get_data_BDE 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

   Python 1

6. GeoCentroidAnalysis GeoCentroidAnalysis Public

   Compares structures and sorts out dublicates by geeomtric centroid and E_tot abalysis

   Python