QMCPACK / QMCPACK/qmcpack

Three-body jastrow should require all species to be specified

Open
#1,247 0 comments 0 reactions 1 assignee Claimed by @jtkrogel View on GitHub
enhancement input
Dominant language
C++
Stars
403
Forks
154
Avg merge
1d 12h
Merged PRs (30d)
82

Description

Per discussion in #1244 , the three-body jastrow should requires ispecies and especies1 and especies2 to be specified.

Many existing test inputs have especies which is not read.

Contributor guide

Open the contributing guide

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.