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Fabian L. Zott's Projects

dotfiles icon dotfiles

Default configuration for Le Wagon's students

geocentroidanalysis icon geocentroidanalysis

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

get_cbs icon get_cbs

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

get_data_bde icon get_data_bde

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

home_automation_iot icon home_automation_iot

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

lrz_scripts icon lrz_scripts

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 workload manager.

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