|
ABCRATE
|
ABINIT
|
ABINIT-MP
|
ACES
|
ACES II
|
ACES II-MAB
|
|
ACRES
|
ADF
|
ADPACK
|
Agent2
|
AIM2000
|
AIM98PC
|
|
AIMALL
|
AIMPAC
|
AKAI-KKR
|
Akira
|
ALCHEMY II
|
AllChem
|
|
ALP-vibro
|
Amber
|
AmberFFC
|
AMESIS
|
AMICA
|
AMMP
|
|
AMPAC
|
AMPAC
|
AMSOL
|
AMSOLRATE
|
AOIM
|
AOMix
|
|
AOMX
|
APE
|
ArgusLab
|
ASCOT
|
ASE
|
ASW
|
|
AtomDemo
|
Atomistix ToolKit
|
Atompaw & pwpaw
|
ATSP
|
Babel
|
BAND
|
|
Barchetta
|
BatchMan
|
BDF
|
BICON-CEDiT
|
BioMedCAChe
|
BOSS
|
|
Brabosphere
|
CACAO 98
|
Cache
|
CADPAC
|
CAESAR
|
CAMUS
|
|
CAMUS-FSIS
|
Car Parrinello
|
Cart
|
CASINO
|
CASINO
|
CASTEP
|
|
CAS_AMOSS
|
CCP1GUI
|
CCP4
|
Cerius2
|
CFIT
|
CFOUR
|
|
CHARMM
|
CHASE-3PT
|
Chem2PAC
|
ChemCraft
|
ChemOffice
|
ChemShell
|
|
CHEMSOL
|
CIAO
|
CIPSI-Pisa & HONDO95
|
CNDO
|
CNS
|
COLUMBUS
|
|
Computational Chemistry Toolkit
|
COMQUM
|
CONFLEX
|
COSMOS
|
COSMOtherm
|
Cowan
|
|
CP-Optimizer
|
CP2K
|
CPMD
|
CRATE
|
CRUNCH
|
CRYSCOR
|
|
CRYSTAL
|
Crystal Explorer
|
DACAPO
|
Dalton
|
DARC & GRASP
|
DeCAFT
|
|
DeFT
|
DeMon2k
|
DFT++
|
DFTATOM & PSPCON
|
DFTB+
|
DFTGWA
|
|
DGauss
|
DGrid
|
Diatomic
|
DIESEL
|
Dirac
|
DIRCCR12-OS
|
|
Divcon
|
DL Visualize
|
DL_POLY
|
DMol3
|
DoD Planewave
|
Drf90/rgc/solvents
|
|
DV-Xα
|
DYNAMO
|
Dynasol
|
ECCE
|
ECEPPAK
|
EGO
|
|
EHT
|
Elk
|
EMBED
|
ENDyne
|
ESPOIR
|
ESPRESSO
|
|
EXCITING
|
F95 Parallel DFT
|
FAC
|
Facio
|
FCfast
|
FDA
|
|
FeynArts
|
FGH1D
|
FHI-aims
|
FHI98md
|
Fhi98PP
|
Fireball
|
|
Firefly
|
Flair
|
FLAPW
|
FLEUR
|
FMOutil
|
Force Field Explorer
|
|
FPLO
|
FreeON
|
Fujitsu MOPAC
|
FXZTX
|
Gabedit
|
Gambuild
|
|
Gameix
|
GAMESOLRATE
|
GAMESS (USA)
|
GAMESS-UK
|
GAMESSPLUS
|
GaussDal
|
|
Gaussian
|
Gaussian Script
|
GAUSSRATE
|
GaussSum
|
GaussView
|
GDMA
|
|
Gemstone
|
GEN1INT
|
Geomop
|
Geomos
|
Ghemical
|
GMIN
|
|
Gnuplot
|
GOpenMol
|
GoVASP
|
GP
|
GPAW
|
Graphatom
|
|
GraspUV
|
Green
|
Grimme-Waletzke RIMR
|
GROMACS
|
GROMACS-CPMD QM/MM
|
GROMOS
|
|
GTOFF
|
GULP
|
HARLEM
|
Herman-Skillman
|
HFatom
|
Hibridon
|
|
HiLAPW
|
HMO
|
HONDOPLUS
|
Hückel
|
HyperChem
|
ICM
|
|
ICON-EDiT
|
Iconc2000
|
Insight II
|
InteGriTy
|
ISOEFF98
|
Jaguar
|
|
JAGUARATE
|
Jamberoo
|
JaxoDraw
|
JCrystal
|
JIMP2
|
JMol
|
|
JOELib
|
KMovisto
|
KryoMol
|
LEV00
|
Level
|
LIBINT
|
|
Linear Response-LMTO
|
LmtART
|
LocalSCF
|
LODESTAR
|
LSMS
|
LSQC
|
|
LUCIA
|
MacMolPlt
|
MAPS
|
MARVIN
|
Mask
|
Materials Explorer
|
|
Materials Studio
|
MC-TINKER
|
MC-TINKERATE
|
MCCI
|
MCDFGME
|
MCM95
|
|
MCTDH
|
MDGRAPE
|
MedeA
|
MELDF
|
Merlin/MCL
|
MGDFT-QMD
|
|
MIKA
|
MindLab
|
Mini
|
MIPSim
|
MIT Photonic-Bands
|
MLGAUSS
|
|
MMPRO
|
MMTK
|
Mobosol
|
MoCalc
|
MOE
|
MOLARIS
|
|
MOLCAS
|
Molda
|
Molden
|
MOLDRAW
|
MOLDY
|
MolEdit
|
|
MOLEKEL
|
MOLFDIR
|
MOLPRO
|
Molscat
|
MolStudio
|
Molview
|
|
MolWorks
|
MOLYX
|
MomoFCF
|
MondoSCF
|
Mop2007
|
MOPAC
|
|
MOPAC 5.09mn
|
MOplot
|
MORATE
|
MORPHY98
|
MP-DFT
|
MPQC
|
|
MRCC
|
MRPP
|
MSC
|
MSINDO
|
MULTILEVEL
|
MULTILEVELRATE
|
|
MULTIMODE
|
Multiwfn
|
MUNgauss
|
NAMD
|
Nano-scale Device Simulation
|
NBO
|
|
NEB
|
Nextnano3
|
Niedoida
|
NRLMOL
|
Num2d
|
NWChem
|
|
OCTA
|
OCTOPUS
|
OMNISOL
|
ONETEP
|
Open Babel
|
OpenChem
|
|
OpenMOL
|
OpenMX
|
Opep
|
OPIUM
|
OPTIM
|
Orbdraw
|
|
Orbital Viewer
|
ORCA
|
ORIENT
|
Origin
|
OSAKA2000_nano
|
Oscail-X
|
|
PAMoC
|
ParaGauss
|
Paratec
|
PARSEC
|
PATMOL
|
PC-GAMESS
|
|
PCgam Script
|
PcgRUN
|
PCMODEL
|
PDB2ADF
|
PDDG
|
Perlov's LMTO
|
|
PEtot
|
PHASE
|
PHInaX
|
PHONON
|
PINY_MD(c)
|
PiSystems
|
|
Plasma
|
Plato
|
PLH-97
|
POLAR
|
POLYMER
|
POLYRATE
|
|
PQS
|
Priroda
|
Profess
|
ProteinDF
|
Pseudopotential
|
PSI
|
|
PWSCF
|
PyMol
|
PyQuante
|
Q-Chem
|
QBox
|
QC++
|
|
QCFF/SOL
|
QDyn
|
QMagiC
|
QmcMol
|
QMD
|
QMForge
|
|
QMMM
|
QMView
|
QUAMBO
|
Quantum-ESPRESSO
|
QuaRef
|
Quickstep
|
|
R-matrix
|
RACAH
|
Range energy code
|
RATIP
|
RedS
|
Reimers' CNDO/INDO
|
|
RGF
|
RM1
|
RMPROP
|
SAMOA
|
SAPT
|
SAPW
|
|
Schrödinger Suite
|
ScientificGL
|
Scigress
|
SCIGRESS MO Compact
|
SHIFTS
|
SIBFA
|
|
SIESTA
|
SIG-JK
|
Smeagol
|
SMXGAUSS
|
SNF
|
SOCJT
|
|
Socorro
|
SOLID2000
|
SORE
|
Sparkle
|
Spartan
|
SpecView
|
|
SPHInX
|
Spinor
|
SPR-KKR
|
SPR-TB-KKR
|
StoBe
|
STUTTGART TB-LMTO-ASA
|
|
SWizard
|
SZYBKI
|
TB
|
TBPAC
|
TBPW
|
TCE
|
|
TDDFT
|
TeraChem
|
TheRate
|
TINKER
|
TOMBO
|
Tonto
|
|
ToPMoD
|
TRITON
|
TubeGen
|
TURBOMOLE
|
USPP
|
UTChem
|
|
UVSOR
|
VaList
|
VAMP
|
VASP
|
VaspView
|
VB2000
|
|
Vect
|
VEDA
|
Vega
|
VENUS
|
Vibrate
|
VIBRON
|
|
VIBROT
|
Viewmol
|
ViewMol3D
|
Vigyaan
|
Virtual NanoLab
|
VMD
|
|
VUChem
|
Wannier90
|
WanT
|
WavePacket
|
WebMO
|
WIEN2k
|
|
WinGamess
|
WinMOPAC
|
Winmostar
|
WxDragon
|
Xaim
|
XBand
|
|
XCrySDen
|
Xi'An-CI
|
XMVB
|
XsfConvert
|
Xtal
|
XTALDRAW
|
|
XtalEdit
|
XVibs
|
YAeHMOP
|
Zap
|
ZHTools
|
ZHUKE
|
|
Zindo-MN
|
Zoa
|
Zori
|
|
|
|
