bogdanoff

MPI FKF StuttgartStuttgart

Pinned Repositories

block2-preview
Efficient parallel quantum chemistry DMRG in MPO formalism
Language:C++71 9 10323
Block
Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.
Language:C0 1 00
block2-preview
Efficient parallel quantum chemistry DMRG in MPO formalism
Language:C++0 0 00
fci-siso
State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
Language:Python0 0 00
OpenMolcas
A copy of OpenMolcas with an interface to Dice (Heat-bath CI), Block (DMRG), and CheMPS2 (DMRG)
Language:Fortran0 0 00
pbchf
An example to implement PBC SCF
Language:Jupyter Notebook0 0 00
pyscf
Python module for quantum chemistry
Language:Python0 2 00
shciscf
An interface to SHCI program Dice developed by Sharma group
Language:Python0 0 00
StackBlock
Language:C0 1 00
pyscf
Python module for quantum chemistry
Language:Python1.3k 78 1.6k595

bogdanoff's Repositories

bogdanoff/Block
Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.
Language:C0 1 00
bogdanoff/block2-preview
Efficient parallel quantum chemistry DMRG in MPO formalism
Language:C++0 0 00
bogdanoff/fci-siso
State Interaction Spin-Orbit (SISO) Method for CASSCF and FCI
Language:Python0 0 00
bogdanoff/OpenMolcas
A copy of OpenMolcas with an interface to Dice (Heat-bath CI), Block (DMRG), and CheMPS2 (DMRG)
Language:Fortran0 0 00
bogdanoff/pbchf
An example to implement PBC SCF
Language:Jupyter Notebook0 0 00
bogdanoff/pyscf
Python module for quantum chemistry
Language:Python0 2 00
bogdanoff/shciscf
An interface to SHCI program Dice developed by Sharma group
Language:Python0 0 00
bogdanoff/StackBlock
Language:C0 1 00