carlosevmoura/getThermo carlosevmoura/getThermo

  • Stars
    star
    2
  • Language
    Fortran
  • License
    MIT License
  • Created about 9 years ago
  • Updated over 8 years ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
carlosevmoura/getThermo
github

carlosevmoura

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

A tool to obtain thermodynamic properties of chemical systems selecting normal modes which describes vibrational movement

More Repositories

1

CompChemTools

Personal scripts to simplify computational chemistry activities
Mathematica
2
star
2

blog-posts

Auxiliary files for my blog posts in carlosevmoura.org
Jupyter Notebook
1
star
3

IBM-Data-Science-Professional-Certificate

My Personal Files from IBM Data Science Professional Certificate
Jupyter Notebook
1
star
4

courses-notes

Sharing notes from courses and textbooks studies
Mathematica
1
star
5

isGAMESS

A script to automate calculation of inner-shell electronic excited states using IS-MCSCF method in GAMESS
Python
1
star