Molcas
Manual (version v24.06-496-g9705c50be)
4.2.10.
DIMERPERT
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4.2.10.
DIMERPERT
¤
¶
Warning
This program is not available in
OpenMolcas
This module is still undocumented
Table of Contents
1. Introduction
2. Installation Guide
3. Short Guide to
Molcas
4. User’s Guide
4.1. The
Molcas
environment
4.2. Programs
4.2.1.
ALASKA
4.2.2.
AVERD
4.2.3.
CASPT2
4.2.4.
CASVB
4.2.5.
CCSDT
4.2.6.
CHCC
4.2.7.
CHT3
4.2.8.
CMOCORR
¤
4.2.9.
CPF
4.2.10.
DIMERPERT
¤
4.2.11.
DMRGSCF
4.2.12.
DYNAMIX
4.2.13.
EMBQ
¤
4.2.14.
ESPF
(+ QM/MM interface)
4.2.15.
EXPBAS
4.2.16.
EXTF
4.2.17.
FALCON
¤
4.2.18.
FALSE
4.2.19.
FFPT
4.2.20.
GATEWAY
4.2.21.
GENANO
4.2.22.
GEO
¤
4.2.23.
GRID_IT
4.2.24.
GUESSORB
4.2.25.
GUGA
4.2.26.
GUGACI
4.2.27.
GUGADRT
4.2.28.
LEVEL
4.2.29.
LOCALISATION
4.2.30.
LOPROP
4.2.31.
MBPT2
4.2.32.
MCKINLEY
(a.k.a.
DENALI
)
4.2.33.
MCLR
4.2.34.
MCPDFT
4.2.35.
MKNEMO
¤
4.2.36.
MOTRA
4.2.37.
MPPROP
4.2.38.
MPSSI
4.2.39.
MRCI
4.2.40.
MULA
4.2.41.
NEMO
¤
4.2.42.
NEVPT2
4.2.43.
NUMERICAL_GRADIENT
4.2.44.
POLY_ANISO
4.2.45.
QMSTAT
4.2.46.
QUATER
4.2.47.
RASSCF
4.2.48.
RASSI
4.2.49.
RHODYN
4.2.50.
RPA
4.2.51.
SCF
4.2.52.
SEWARD
4.2.53.
SINGLE_ANISO
4.2.54.
SLAPAF
4.2.55.
SURFACEHOP
4.2.56.
SYMMETRIZE
4.2.57.
VIBROT
4.2.58.
WFA
4.2.59. The Basis Set Libraries
4.3. GUI
5. Advanced Examples and Annexes
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