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World List of Crystallographic Computer Programs pp 1–7Cite as

I U CR World List of Crystallographic Computer Programs

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Abstract

The format of this list is that of the first edition, and of previous lists of the american crystallographic association. It is based on the use of standard 80-column IBM cards.

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Abbreviations

A:

Acentric (Non-Centrosymmetric) Only

ABS:

Absorption Corrections

A-C Test:

Acentric/Centric Stat. Test

AT:

Anisotropic Temperature Factors Can Be Treated

BL:

Beevers-Lipson Type Of (FR) Calculation

BLK:

Small Block Of Points, As In Neighborhood of Fourier Peak

C:

Centric (Centrosymmetric) Only

CONTOUR:

Produces Contoured Fourier Maps Or Sections

D:

Interplanar Spacings

DF:

Differential Fourier

DEBYE:

Debye Temperature

DIR:

Direct Methods Of Sign Or Phase Determination

DISPERSN:

Anomalous Dispersion (Corrections, Etc.)

DM:

Diagonal (Or Mainly Diagonal) Matrix

DP:

Data Processing

E:

Error, Standard Deviations, Etc.

EL:

Electron (Diffraction)

Eg:

Equi-Inclination geometry

EXT:

Extinction (Or Ext. Correction)

FM:

Full Matrix

FPK:

Fourier Peak Shape Analysis

FR:

Fourier Synthesis (2 or 3 Dim)

FT:

Fourier Transform

GEOM:

Molecular Geometry

H:

Index (Hkl) Generation

ICA:

Individual Atomic Contributions (To Sf) Available

ID:

Interatomic Distances (And Usüally Bond Angles)

IT:

Input

LC:

Lattice Constants

LF:

Little F — Form Factors

LP:

Lorentz-Polarization Correction

LS:

Least Squares Refinement (3D Unless Otherwise Stated). See Also Sfls.

N:

Neutron (Diffraction)

OT:

Output

P:

Powder Calculations

PARAM:

Parameter(S)

PATSUP:

Patterson Superposition, Minimum Function, Etc.

PI:

Powder Indexing

PK:

Peak

PLANE:

Least-Squares Plane Through Group Of Atoms

PREC:

Precession

PRJCTN:

Projection

PROF:

Profile

R:

R Factor, Agreement Factor

ROTF:

Rotation Function Rotn(Fn) Rotation Function

RB:

Rigid Body

S:

Special

SCL:

Scale Factor

SD:

Standard Deviations

SF:

Structure Factors

SFLS:

Structure Factors And Least Squares Refinement

SIGN:

Manipulation Of Structure Factor Signs (Not Same As Dir)

SPC:

Spectrometer Settings

SPEC:

Special

STAT:

Statistics, Pertaining Particularly To Sf

STEREO:

Calc Of Stereo Structure Pictures

SYSTEM:

Crystallographic Program System

TF:

Temperature Factor

THETA:

Bragg Angle

WEIS:

Weissenberg

2:

Two-Dimensional

3:

Three-Dimensional

2C,3C,4c 2-, 3-, 4-CIRCLE:

(Diffractometer)

ATLAS:

Ferranti Atlas

Bull Get:

Bull Type Gamma Et (France)

BULLGAET:

Bull Type Gamma Aet (France)

B5000:

(No Definition Received)

CAB 500:

Sea Type Cab 500 (France)

CEP:

Calcolatrice Elettronica Pisana (Pisa University, Pisa, Italy)

DASK:

(Denmark)

ER 56:

Standard-Electric-Lorenz Er 56 (Germany)

FACIT:

Facit Edb (Sweden)

KDF9:

English Electric KDF9

LGP30:

Royal-Mcbee

MERCURY:

Ferranti Mercury (Britain)

MIB:

Musashino Ib, Somewhat Similar To Pci (Tokyo, Japan)

NE803:

National Elliott NE 803

PCl:

Parametron Computer, Dept. Of Physics, Univ. Of Tokyo, Tokyo, Japan

PDP6:

Digital Equipment Corp. PDP6

SILLIAC:

Silliac (Australia)

Ural 1:

(Ussr)

WGMATIC:

Wegematic 1000 (Sweden)

X 1:

N. V. Electrologica, The Hague, Netherlands

ZEBRA:

Stantec Zebra, Standard Telephones And Cables Ltd, Enfield, England

Z22R:

Zuse 22R (Germany)

Z23A:

Zuse 23A

1103:

Remington Rand Univac 1103

1107:

Remington Rand Univac 1107

1410:

Ibm 1410

1604:

Control Data 1604

1620:

Ibm 1620

2002:

Siemens 2002 (Germany)

205:

Burroughs 205

220:

Burroughs 220

360:

Ibm System 360

5090H:

Okidac-5090H (Japan)

6001:

Olivetti Elea 6001. K Indicates 10000 Digits High Speed Storage.

650:

Ibm 650

704:

Ibm 704

7040:

Ibm 7040

7044:

Ibm 7044

7070:

Ibm 7070

7074:

Ibm 7074

709:

Ibm 709

7090:

Ibm 7090

7094:

Ibm 7094

7094DC:

Ibm 7094 Direct Coupled

NOTE:

Ibm 709, 7090. 7094 (In Order Of Increasing Speed) Are Largely Interchangeable, And Machine-Language Programs Are Readily Interconvertable. These Machines Are Grouped Together In The Program Listings.

Programming Languages (Pseudo-Machines), Usually Compilable On Several Machine Types), Which May Be Cited In Lieu Of Machine If Source Program Is Largely Machine Independent (However, Abstract Cards Should Contain Reference To Machine On Which Compiled, Preferably With Indication Of Storage Requirements)

ALGOL:

Algorithmic Language

ALGOL60:

Ditto (1960 Version)

ATLAS F:

Written In A Form Of Fortran (Hartran) For The Atlas Computer (However, Programs In Atlas F Are Listed Under Atlas Machine)

EMA:

Extended Mercury Autocode

EXCHLF:

(See Atsys)

FORTRAN:

Formula Translation (Ibm)

FORTRAN2:

Fortran II

FORTRAN4:

Fortran IV

HARTRAN:

See Atlas F

MAD:

Michigan Algorithmic Decoder (Related To Algol)

NP/I:

Programming Language To Be Implemented Under Ibm System 360

AGL.:

Written In Algol (60), Compiled On Machine Indicated By Prior Abbrev.

AUC:

Written In Autocoder (7070), Compiled On Machine Indic. By Prior Abbrev

AUT:

Written In Autocode, Compiled On Machine Indicated By Prior Abbrev.

FTN:

Written In Fortran, Compiled On Machine Indicated By Prior Abbrev.

FT2:

Written In Fortran II. Compiled On Machine Indicated By Prior Abbrev.

8K:

Indicated Machine Must Have At Least 8192 Words High-Speed Storage

4K, 32K:

Must Have At Least 4096, Or 32,768 Words, Etc.

ATSYS:

Atlas Crystallographic System, Compiled At Imperial College, London. Developed Mainly By M. G. B. Drew.

X-Ray 63 System Of Crystallographic Programs Developed By J. Stewart, Now At Univ. Of Maryland. Contains Individual Programs Written By Many Others. Individual Programs Are Listed Under 7090/7094 As Well As Under The X-Ray 63 System.

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  1. Massachusetts Institute of Technology, Cambridge, Mass., USA

    David P. Shoemaker

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  1. Massachusetts Institute of Technology, Cambridge, Mass., USA

    David P. Shoemaker

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Shoemaker, D.P. (1966). I U CR World List of Crystallographic Computer Programs. In: Shoemaker, D.P. (eds) World List of Crystallographic Computer Programs. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-8477-9_1

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  • DOI: https://doi.org/10.1007/978-1-4684-8477-9_1

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