quanp

Nagoya UniversityNagoya, Japan

Pinned Repositories

Open-Catalyst-Dataset
Workflow for creating and analyzing the Open Catalyst Dataset
Language:Python89 11 1532
Block
Block implements the DMRG algorithm for quantum chemistry / finding site-ordering automatically
Language:C00
CheMPS2
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Language:C++00
NiFe
DMRG calculation of NiFe with Block and CheMPS2
00
OpenMolcas
A copy of OpenMolcas with an interface to Dice (Heat-bath CI), Block (DMRG), and CheMPS2 (DMRG)
Language:Fortran22
polyene
Short examples for Molcas-CheMPS2 interface
Language:Shell10

quanp's Repositories

quanp/OpenMolcas
A copy of OpenMolcas with an interface to Dice (Heat-bath CI), Block (DMRG), and CheMPS2 (DMRG)
Language:Fortran22
quanp/polyene
Short examples for Molcas-CheMPS2 interface
Language:Shell10
quanp/Block
Block implements the DMRG algorithm for quantum chemistry / finding site-ordering automatically
Language:C00
quanp/CheMPS2
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
Language:C++00
quanp/NiFe
DMRG calculation of NiFe with Block and CheMPS2
00