Index

A

ADMM ALMO AM1

AMBER ASE ASPC

B

BFGS

BOMD BSSE

C

CDFT CDFT-CI CG CHARMM

COLVAR CP CPMD CSVR CUDA

D

DBCSR DDAPC DFET DFT

DFTB DIIS DLA-F DOS

E

EAM EC EIP

ELPA EMD EPR ERI

F

FCC

FIST FPGA

G

GAPW GEEP GGA GHO

GLE GPW GROMOS GTH GTO

H

HF

HFX HIP

I

IEEE

IMOMM

K

KS

L

LCAO LDA LDOS

LINRES LRIGPW LS LSD

M

MAO MC MD MM MME

MNDO MO MOM MP2 MPI MSST

N

NDDO NEB NEGF NMR

NNP NpE NVE NVT

O

OF OpenCL

OpenMP OT

P

PAO-ML PBC PBE PIGLET PILE

PINT PM3 PM6 POD PP PW

Q

QM

QMMM QS

R

RESP RESPA RI RM1

RMA RMSD RPA RPMD

S

SCCS SCF SCPTB

SE SIC SOC STM

T

TDDFPT

TMC TRS4

U

UFF

X

XAS

XC xTB

Z

ZMP