search

FriendsofECCE / ECCE

The purpose of this repo is to allow continued development of the Extensible Computational Chemistry Environment (ECCE) which used to be maintained by the PNNL
Other
9 stars 5 forks source link

Provide a tutorial for 1) installation 2) modifying queues and 3) getting started with simple calcs #12

Open ohlincha opened 7 years ago

ohlincha commented 7 years ago

Need a 'quick start' guide.

  1. Installation -- in particular if they download the binaries users need to know what packages to install.
  2. How to/the need to modifying the CONFIG.x files may not be obvious the first time you use ECCE
  3. Nice glossy little tutorial showing how to do a few basic computations