Johannes Steinmetzer (@eljost)
github

eljost

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  • Stars
    star
    147
  • Global Rank 156,109 (Top 6 %)
  • Followers 37
  • Following 4
  • Registered over 12 years ago
  • Most used languages
    Python
         92.3 %
    Fortran
         7.7 %
  • Location πŸ‡©πŸ‡ͺ Germany
  • Country Total Rank 8,801
  • Country Ranking
    Fortran
         172
    Python
         1,304

Top repositories

1

pysisyphus

Python suite for optimization of stationary points on ground- and excited states PES and determination of reaction paths.
Python
88
star
2

thermoanalysis

Stand-alone thermochemistry in python for ORCA and Gaussian.
Python
23
star
3

sympleints

Molecular integrals over Gaussian basis functions using sympy.
Python
12
star
4

td

Parsing and plotting of excited state calculations from Gaussian/Turbomole/ORCA.
Python
6
star
5

ligparam

Simple GUI to facilitate ligand parametrization using OpenMM
Python
3
star
6

pywfo

Wavefunction overlaps between CI-functions in python.
Python
3
star
7

gencitations

Painless bibtex generator for ORCA logfiles.
Python
3
star
8

franckcondon

Python
2
star
9

plotprofile

Quickly generate reaction path profiles.
Python
1
star
10

geompca

Simple PCA using a subset of internal coordinates.
Python
1
star
11

tupper

Python
1
star
12

nddia

N/D diabatiziation of adiabatic potential energy curves.
Python
1
star
13

pysisyphus_paper_si

Supporting Information for the pysisyphus paper
1
star
14

pysisyphus-addons

Compiled addons for pysisyphus.
Fortran
1
star