quanp Goto Github PK
Name: Quan Phung
Type: User
Company: Nagoya University
Location: Nagoya, Japan
Quan Phung's Projects
block
Block implements the DMRG algorithm for quantum chemistry / finding site-ordering automatically
chemps2
CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry
nife
DMRG calculation of NiFe with Block and CheMPS2
openmolcas
A copy of OpenMolcas with an interface to Dice (Heat-bath CI), Block (DMRG), and CheMPS2 (DMRG)
polyene
Short examples for Molcas-CheMPS2 interface
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