PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-06-16 18:25:32 +02:00
Code Releases Activity

Basis warning

Browse Source
This commit is contained in:
Anthony Scemama 2020-02-04 16:49:16 +01:00
parent 694df1d649
commit 0e29b1c264
1 changed files with 8 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

9
data/basis/00_README.rst
View File

@ -1,4 +1,11 @@
# Basis sets obtained from EMSL Basis Set Exchange : https://bse.pnl.gov/bse/portal
# IMPORTANT NOTICE:
# Basis sets were obtained from the old EMSL Basis Set Exchange web site
# (https://bse.pnl.gov/bse/portal) in 2015. Today, the new web site
# https://www.basissetexchange.org contains updated versions of the basis
# sets with eventually the same name, but different data.
#
# Users are advised to use data from www.basissetexchange.org instead of the
# file provided in this directory.
# File Name on EMSL BSE Description