Abel Carreras (@abelcarreras)
github

abelcarreras

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  • Stars
    star
    215
  • Global Rank 116,444 (Top 5 %)
  • Followers 75
  • Following 22
  • Registered over 10 years ago
  • Most used languages
    Python
         76.9 %
    Fortran
         15.4 %
    Cuda     7.7 %
  • Location 🇪🇸 Spain
  • Country Total Rank 1,327
  • Country Ranking
    Cuda     9
    Fortran
         21
    Python
         220

Top repositories

1

DynaPhoPy

Phonon anharmonicity analysis from molecular dynamics
Python
92
star
2

phonolammps

LAMMPS interface for phonon calculations using phonopy
Python
67
star
3

PyQchem

Python interface for Q-Chem
Python
18
star
4

posym

Point symmetry analysis tool for theoretical chemistry objects
Python
9
star
5

cuda_functions

Python functions to calculate the FFT and autocorrelation function using GPU (Cuda)
Cuda
9
star
6

symgroup

Continuous symmetry measures of molecular structures
Fortran
8
star
7

dynamics

Simple classical molecular dynamics code using custom potentials
Python
5
star
8

gromorg

A python GROMACS interface for MD simulations of organic molecular crystals
Python
2
star
9

pointgroup

Python library to determine the point group of molecular geometries
Python
2
star
10

WFNSYM

Continuous symmetry measures (CSM) of electronic wave function
Fortran
1
star
11

qchem-parsers

Python parsers repository for Q-Chem
Python
1
star
12

MonteModes

Classical MonteCarlo simulation using normal modes as coordinates
Python
1
star
13

course_design

Python
1
star