xubwa

Pinned Repositories

bagel
Brilliantly Advanced General Electronic-structure Library
Language:C++0 0 00
CDFCI
C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.
Language:C++0 0 00
CN-COF
Geometry file for CN-COF paper
0 1 00
Cu_HHTC
0 1 00
Dice-1
Language:C++0 0 00
madness
Multiresolution Adaptive Numerical Environment for Scientific Simulation
Language:C++0 0 00
RelHCI
Input file for relativistic SHCI paper.
Language:Python10
socutils
Language:Python9 2 01
zccsd
Language:Python2 1 00

xubwa's Repositories

xubwa/socutils
Language:Python9 2 01
xubwa/zccsd
Language:Python2 1 00
xubwa/RelHCI
Input file for relativistic SHCI paper.
Language:Python10
xubwa/bagel
Brilliantly Advanced General Electronic-structure Library
Language:C++0 0 00
xubwa/CDFCI
C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.
Language:C++0 0 00
xubwa/CN-COF
Geometry file for CN-COF paper
0 1 00
xubwa/Cu_HHTC
0 1 00
xubwa/Dice-1
Language:C++0 0 00
xubwa/madness
Multiresolution Adaptive Numerical Environment for Scientific Simulation
Language:C++0 0 00
xubwa/MD_workshop
Language:C++0 0
xubwa/pyscf
Python module for quantum chemistry
Language:Python0 0
xubwa/pyscf-doc
pyscf-doc
Language:Python0 0
xubwa/shciscf
An interface to SHCI program Dice developed by Sharma group
Language:Python
xubwa/Spiroborate_Cage
Input and output files for spiroborate cage paper
1 0
xubwa/x2camf
SOC integrals generator with atomic mean field approximation
Language:C++
xubwa/zquatev
Python wrapper for qsimulate-open/zquatev
Language:C++0 0