grimme-lab/xtb_docs issues and pull requests

#23 - Add guide to geometry formats supported in xtb

Pull Request - State: closed - Opened by awvwgk almost 5 years ago - 1 comment

#22 - Link xcontrol documentation to website

Issue - State: closed - Opened by tobigithub almost 5 years ago - 5 comments
Labels: xtb

#21 - -charge vs -chrg

Issue - State: closed - Opened by tobigithub almost 5 years ago

#20 - Examples of MTD

Issue - State: open - Opened by dengsusu about 5 years ago - 1 comment
Labels: crest, xtb

#19 - Exited States Calculations with “xTB”

Issue - State: open - Opened by awvwgk about 5 years ago
Labels: help wanted, stda

#18 - Pathfinder / Transition state search in xtb

Issue - State: closed - Opened by Dnasiul about 5 years ago - 2 comments

#17 - typos

Pull Request - State: closed - Opened by CurtisColwell about 5 years ago

#16 - update setup and installation guide

Pull Request - State: closed - Opened by awvwgk about 5 years ago

#15 - Add github and install info

Issue - State: closed - Opened by tobigithub about 5 years ago

#14 - Documentation of the ENSO program

Pull Request - State: closed - Opened by fabothch over 5 years ago

#13 - add documentation related to new $hess/element mass keyword

Pull Request - State: closed - Opened by liljay42 over 5 years ago

#12 - Document new keyword $hess/element mass:

Issue - State: closed - Opened by awvwgk over 5 years ago

#11 - Add Installation Guide on xtb-Python Package

Pull Request - State: closed - Opened by awvwgk over 5 years ago - 1 comment

#10 - Revert "More detailed guide to confining/wall potentials"

Pull Request - State: closed - Opened by awvwgk over 5 years ago

#9 - More detailed guide to confining/wall potentials

Pull Request - State: closed - Opened by awvwgk over 5 years ago - 1 comment
Labels: enhancement

#8 - Fukui Index

Issue - State: closed - Opened by haneug over 5 years ago

#7 - Improve Growing String Method Guide

Issue - State: closed - Opened by f3rmion over 5 years ago

#6 - GBSA solvents

Issue - State: closed - Opened by ikalvet over 5 years ago - 1 comment
Labels: wontfix

#5 - properties.rst

Pull Request - State: closed - Opened by JayTheDog almost 6 years ago

#4 - Improve Metadynamics Guide

Issue - State: closed - Opened by awvwgk almost 6 years ago

#3 - Added implicit solvation section

Pull Request - State: closed - Opened by haneug almost 6 years ago

#2 - Create md.rst

Pull Request - State: closed - Opened by liljay42 almost 6 years ago

#1 - merge basic setup

Pull Request - State: closed - Opened by awvwgk almost 6 years ago

Ecosyste.ms: Issues

GitHub / grimme-lab/xtb_docs issues and pull requests