Pinned Repositories
abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
fewest-switch-surface-hopping
John Tully's fewest switch surface hopping algorithm
i-pi-pyscf
interface of i-pi and pyscf
QPARC-Challenge-2022
Ruiyi's Qamuy Challenge 2022 input
RealtimePySCF
Realtime Extensions to PySCF (TDDFT etc.)
scripts
analysing tools for qball_unc
ruiyiQM's Repositories
ruiyiQM/i-pi-pyscf
interface of i-pi and pyscf
ruiyiQM/abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
ruiyiQM/fewest-switch-surface-hopping
John Tully's fewest switch surface hopping algorithm
ruiyiQM/QPARC-Challenge-2022
Ruiyi's Qamuy Challenge 2022 input
ruiyiQM/RealtimePySCF
Realtime Extensions to PySCF (TDDFT etc.)
ruiyiQM/scripts
analysing tools for qball_unc