search

sanshar / Block

Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.
GNU General Public License v3.0
30 stars 33 forks source link

The onepdm and twopdm code is revised to calculate the pdm when bra and #10

Closed shengg closed 10 years ago

shengg commented 10 years ago

ket states are different. Namely, the transition matrix. To use it, tran_onepdm, tran_twopdm or restart_tran_onepdm, restart_tran_twopdm is set in input file.