Skip to content
View JonathanSemelak's full-sized avatar
Block or Report

Block or report JonathanSemelak

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse

Pinned Loading

  1. feneb feneb Public

    A tool for performing nudged elastic bands simulations on the free energy surface using Amber .nc files.

    Fortran

  2. VDOS VDOS Public

    This Python script, get_VDOS.py, is designed to calculate the Vibrational Density of States (VDOS) from molecular dynamics trajectory files. It supports different file formats and offers flexibilit…

    Python 6 1

  3. hybrid hybrid Public

    Forked from MALBECC/hybrid

    A code for molecular dynamics simulations and various optimization schemes

    C