ruiyiQM

Pinned Repositories

abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
Language:C++154 13 89154
abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
Language:C++0 0 00
fewest-switch-surface-hopping
John Tully's fewest switch surface hopping algorithm
Language:Mathematica0 0 00
i-pi-pyscf
interface of i-pi and pyscf
Language:Python3 1 00
QPARC-Challenge-2022
Ruiyi's Qamuy Challenge 2022 input
Language:Jupyter Notebook0 1 00
RealtimePySCF
Realtime Extensions to PySCF (TDDFT etc.)
Language:C++00
scripts
analysing tools for qball_unc
Language:Python0 1 00

ruiyiQM's Repositories

ruiyiQM/i-pi-pyscf
interface of i-pi and pyscf
Language:Python3 1 00
ruiyiQM/abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
Language:C++0 0 00
ruiyiQM/fewest-switch-surface-hopping
John Tully's fewest switch surface hopping algorithm
Language:Mathematica0 0 00
ruiyiQM/QPARC-Challenge-2022
Ruiyi's Qamuy Challenge 2022 input
Language:Jupyter Notebook0 1 00
ruiyiQM/RealtimePySCF
Realtime Extensions to PySCF (TDDFT etc.)
Language:C++00
ruiyiQM/scripts
analysing tools for qball_unc
Language:Python0 1 00