Commits

Commits on May 31, 2025

add fitting basis for gth-hf-rev
hongzhouye
committed
5735e3c

Commits on May 9, 2024

Update to_cp2k_format.py
hongzhouye
authored
ac73df2

Commits on Apr 5, 2023

Update README.md
hongzhouye
authored
29b989e

Commits on Aug 18, 2022

Add notes on the cp2k converter
hongzhouye
authored
0a8a9b5
Add cp2k formatter
hongzhouye
committed
fbc5e29

Commits on Jun 25, 2022

Update README.md
hongzhouye
authored
1080561

Commits on Feb 23, 2022

Update README.md
hongzhouye
authored
464815c
Added example
hongzhouye
committed
18a1fa3
Update ccecp
hongzhouye
committed
96fbbe1
Update header
hongzhouye
committed
ed4ce19

Commits on Jan 18, 2022

Split basis into small and large core
hongzhouye
committed
a113172

Commits on Jan 14, 2022

Updated basis for B
hongzhouye
committed
f2281ed

Commits on Jan 4, 2022

Small change of sp-pol exponents for C,Si,N,P,As
hongzhouye
committed
054647f

Commits on Jan 3, 2022

Update gth basis and add ccecp basis
hongzhouye
committed
18ec7ab

Commits on Dec 8, 2021

Added basis sets for GTH-HF pseudopotential
hongzhouye
committed
484907e

Commits on Nov 18, 2021

Update README.md
hongzhouye
authored
bad43b7
Initial commit
hongzhouye
authored
ac36f88