1#### Version 1.8.9 LTS update (2018-10-29): 2* Bug fix long double literal Wigner.cpp 3 4#### Version 1.8.8 LTS update (2018-09-26): 5* Print the number of MPS variables 6 7#### Version 1.8.7 LTS update (2018-03-25): 8* Bump up SO version from 2 to 3 9 10#### Version 1.8.6 LTS update (2018-03-16): 11* Set initial guess to an ROHF determinant (for @quanp) 12 13#### Version 1.8.5 LTS update (2018-01-18): 14* Fix build; bump up required CMake (thanks @quanp) 15 16#### Version 1.8.4 LTS update (2017-05-23): 17* MOLCAS state average CASPT2 interface (thanks @quanp) 18* Update build system for psi4 (thanks @loriab) 19 20#### Version 1.8.3 LTS update (2016-11-15): 21* Custom orbital reordering for MOLCAS interface 22* Fix building PyCheMPS2 (thanks @loriab) 23 24#### Version 1.8.2 LTS update (2016-10-26): 25* Fix PyCheMPS2 build 26 27#### Version 1.8.1 LTS update (2016-10-25): 28* MPS checkpoint for MOLCAS interface 29* Fiedler order checkpoint for MOLCAS interface 30 31#### Version 1.8 LTS (2016-08-24): 32* Fix slow convergence linear Davidson algorithm 33* Fix MPI bug binary 34* MOLCAS interface binary (2-RDM, 3-RDM, and F.4-RDM dump) 35* Fortran example to read in CASPT2 intermediates for MOLCAS 36 37#### Version 1.7.3 (2016-07-14): 38* DMRG workshop in sphinx documentation 39 40#### Version 1.7.2 (2016-07-07): 41* Rotate molden files with DMRG-SCF unitary from executable 42 43#### Version 1.7.1 (2016-06-29): 44* Global reordering of the active space orbitals (mixing 45 irreps) based on Fiedler vector of the exchange matrix 46* Davidson algorithm for linear systems (for CASPT2) 47 48#### Version 1.7 (2016-05-24): 49* Class ConjugateGradient 50* Class TensorOperator 51* Class ThreeDM: DMRG 3-RDM in O(L^4 D^3 + L^6 D^2) 52* Class Cumulant: Cumulant reconstruction of the DMRG 4-RDM 53* Class CASPT2: Internally contracted CASPT2 54* Class Molden: Rotate molpro/psi4 molden to CAS orbitals 55* Class Excitation: Build |1> = ( b + a * ( E_ij + E_ji )) |0> 56* Part of DMRG 4-RDM via DMRG::Symm4RDM 57* DMRG sweeps after RDM calculation allowed 58* FCI 3-RDM in FCI::Fill3RDM 59* FCI 4-RDM in FCI::Fill4RDM 60* FCI diagonal 4-RDM in FCI::Diag4RDM 61* FCI 4-RDM contraction with Fock operator in FCI::Fock4RDM 62* Blockwise ERI rotations with DMRGSCFrotations using disk 63* Update binary for DMRG-CASPT2 64* Break API: bump up SO version 65* Deprecate TwoDMstorage class 66* Deprecate TensorDiag class 67* Deprecate TensorSwap class 68* Deprecate TensorS0Abase class 69* Deprecate TensorS1Bbase class 70* Deprecate TensorF0Cbase class 71* Deprecate TensorF1Dbase class 72* Deprecate TensorA class 73* Deprecate TensorB class 74* Deprecate TensorC class 75* Deprecate TensorD class 76 77#### Version 1.6 (2015-08-26): 78* Disk i/o improvements with HDF5's hyperslab 79* Performance counters in DMRG class 80* Faster preconditioner FCI Green's function solver 81* Bug fix FCIDUMP read-in 82* chemps2 binary 83* manpage for binary 84 85#### Version 1.5 (2015-06-18): 86* DMRG-CI plugin pyscf 87* DMRG-SCF plugin psi4 (official release for psi4) 88* Fix bug small electron number FCI class 89* FCIDUMP file support 90* Sphinx documentation 91* DMRG class supports 4-fold permutation symmetry (i.o. 8-fold) 92* Hybrid MPI & OpenMP for DMRG + 2-RDM (not for DMRG-SCF yet) 93 94#### Version 1.4 (2014-11-23): 95* 2-RDM storage class 96* Optimization OpenMP over symmetry blocks Heff 97* DIIS acceleration DMRG-SCF 98* Two-orbital mutual information and correlation functions 99* Augmented Hessian NR Edmiston-Ruedenberg orbital localization 100* PyCheMPS2: python interface to libchemps2 101* FCI Green's function solver 102* State-averaged DMRG-SCF 103 104#### Version 1.0 (2014-04-08): 105* Initial release 106 107