UT theoretical chemistry code forum - Code

Code

Forum

Topics

Posts

Last post

Bader
Bader charge density analysis
Moderator: moderators
Topics: 403

403 Topics

1652 Posts

Last post Re: Critical Points - Potenti…
by cgale View the latest post
Fri May 23, 2025 8:29 am
VTSTTools
Vasp transition state theory tools
Moderator: moderators
Topics: 1094

1094 Topics

4431 Posts

Last post Re: Effect of MAGMOM on energ…
by mdhayesNU View the latest post
Thu May 22, 2025 5:19 pm
eOn
eOn code for long time scale dynamics
Moderator: moderators
Topics: 146

146 Topics

823 Posts

Last post Re: Max_rate implementation i…
by sanjay14kr View the latest post
Thu Nov 17, 2022 7:45 am
tsase
Python framework for working with atomic configurations, potentials, and algorithms.
Moderator: moderators
Topics: 24

24 Topics

64 Posts

Last post Re: questions on solid state …
by lappyexpert View the latest post
Sat Mar 18, 2023 8:31 am