INDEX
Downloaded by 80.82.77.83 on January 1, 2018 | http://pubs.acs.org Publication Date: June 1, 1977 | doi: 10.1021/bk-1977-0057.ix001
A ACIA ACPL ALGOL Algorithm ( s ) Geradin hybrid Nesbets APL APLVS Asynchronous communications interface adapter ATI Automatic transfer instruction
49 82 75 29 28 29 44 44 49 130 130
B BASIC Benchmarks BERKELEY Bravais lattices
30 194 179 166 C
CALCOMP Cartesian space CGT CK Cloud simulation chamber program .. Colloid stability Communications interface adapter, asynchronous Computer, slave Conjugate gradients inverse iteration by Cost effectiveness Costs, maintenance and operating CRAY CRUNCHER Crystallographic calculations, protein CYBER and ECLIPSE hardware and software differences
191 164 29 149 90 42 49 129 25 27 198 227 178 194 102
Disc operating system Discreet Fourier transform Distribution function, radial DMA transfer DMS D.O.S Dynamics, molecular DYNSYS Ε ECLIPSE and CYBER hardware and software differences Eigenproblems ENDOR spectrometer Equation of state ESR spectrometer Evaporator system, control of Execution times, comparison of
113 24 201 137 201 69 124
F Fast Fourier transform algorithms .... 107 FFT 107 Floating point systems 177 Fluids, theory of 42 FMLS 97 FORTRAN programming 205 Fourier transform spectroscopy 106 Froberg matrix 30, 31 Full Matrix Least Squares 97 G
113
GAUSSIAN 70 GEMCS GER Geradin algorithm Gradients, conjugate inverse iteration by GRAMPS Graphics GRAPPLE
48 108 108 103 137 123 233
Harris slash four Hierarchy HEISENBERG High speedfloatingpoint arithmetic unit Hollerith constants Hosts
179 65 29,30 29 25 27 73 213 75
H
D Device control processor DFT performance for Diffractometer, time-sharing of Diffusion DIMENSION Disc monitor system
36 108 137 130 233 36 149 65
237 Lykos; Minicomputers and Large Scale Computations ACS Symposium Series; American Chemical Society: Washington, DC, 1977.
173 62 166 38 37 46
238
MINICOMPUTERS
HSALU Hybrid algorithms
38 28
I I loop Indexing methods, comparison of Inelastic scattering of neutrons INSYPS Interdata computer Interface, touch Inverse iteration by conjugate gradients INVIT Iteration, inverse by conjugate gradients
141 122 137 65 36 157 29 27 29,30 29 27
Downloaded by 80.82.77.83 on January 1, 2018 | http://pubs.acs.org Publication Date: June 1, 1977 | doi: 10.1021/bk-1977-0057.ix001
J J loop JWKB
141 210
Κ KPLOT
213
SCALE COMPUTATIONS
Nesbet's algorithm 29 Neutron diffractometer 201 Neutrons, inelastic scattering of 137 NEWTON 152,153,166 NMR spectrometer, pulsed 201 NRCC 172
Ο Optimal relaxation, method of
29
Ρ Particle diffusion 42 Peripheral interface adapter 48 PIA 48 POLYATOM 179 Protein crystallographic calculations .. 102 Pulsed NMR spectrometer 201 Q Quantum chemistry computations Quotient minimization, Rayleigh, direct
204 26
R
L Large computer, comparison with minicomputer Least squares LEAST SQUARES Lemberg-Stillinger potential Lennard-Jones potential Light scattering spectroscopy Liquids, computer simulation of motion in
103 29,97 196 160 138 42 137
Radial distribution of function Rayleigh quotient minimization, direct RDOS Real time operating system Relaxation, method of optimal REMAP Remote job entry RJE
137 26 114 114 29 114 219 219
S
M MACC MATMUL Mechanical molecules Mechanics, statistical Methyl isocyanide MIKBUG Minicomputer, comparison with large computer Molecular dynamics Molecules, mechanical Monte-Carlo calculations MOR Motion in liquids, computer simulation of MRDOS
A N DLARGE
198 196 148 149 171 49 103 137,149 148 127 29 137 114
Ν National Resource for Computation in Chemistry NES
172 29
Saul'yev method 1 Scattering of neutrons, inelastic 137 SCEP 179 SCF 171 SCEPGM 196 Schmidt's numerical method 2 SCHRODINGER 166 SEL 178 Self-consistent electron pairs 174 Self-consistent-field approximation .... 171 Simulation of motion in liquids, computer 137 Slash 4 220 Slash 7 191 Slave computer 129 SM 149 Solvation, dynamics of 161 Spectrometer ENDOR 201 ESR 201 NMR, pulsed 201
Lykos; Minicomputers and Large Scale Computations ACS Symposium Series; American Chemical Society: Washington, DC, 1977.
239
INDEX
SSE Statistical mechanics Structure determination calculations ..
29 149 94
Τ 141 171 131 103 157 153 157 29 211 174
159 192 192 44
W WC WSPLOT
192 213 X
XTL
Downloaded by 80.82.77.83 on January 1, 2018 | http://pubs.acs.org Publication Date: June 1, 1977 | doi: 10.1021/bk-1977-0057.ix001
Τ loop TCNQ-TTF T1980A Time-sharing of the diffractometer .... Touch interface Touchy-Feely Touchy-Twisty TQL TRAJ3D TSCEP
V Vibrational spectra, dynamic approach to Virtual memory system VMS VSAPL
Lykos; Minicomputers and Large Scale Computations ACS Symposium Series; American Chemical Society: Washington, DC, 1977.
97
