Robert Shaw (@robashaw)
github

robashaw

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  • Stars
    star
    107
  • Global Rank 198,084 (Top 7 %)
  • Followers 29
  • Registered almost 8 years ago
  • Most used languages
    Python
         50.0 %
    C++
         33.3 %
    Fortran
         16.7 %
  • Location 🇬🇧 United Kingdom
  • Country Total Rank 9,283
  • Country Ranking
    Fortran
         247
    C++
         989
    Python
         2,173

Top repositories

1

geomConvert

A python utility to convert between XYZ and Z-matrix geometries.
Python
36
star
2

basisopt

Basis set optimization library for quantum chemistry
Python
32
star
3

libecpint

A C++ library for the efficient evaluation of integrals over effective core potentials.
C++
28
star
4

gamma

Efficient, high-accuracy electronic structure code for intermolecular interactions
C++
8
star
5

polfit

Script to perform a Dunham analysis on potential energy curve of diatomics
Python
2
star
6

knapsack

Radiative and non-radiative rates
Fortran
1
star