Programs in Physics & Physical Chemistry
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Programs in Physics & Physical Chemistry |
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| Index | Classification |
| 8 | Crystallography |
| AADC_v1_0 | NPHZB84 Multiphonon X-ray scattering. J.S. Reid Comput. Phys. Commun. 38(1985)43 |
| AADZ_v1_0 | ORIENT Simulation of molecular reorientation in crystals. J.C.A. Boeyens, D.C. Levendis Comput. Phys. Commun. 39(1986)221 |
| AALZ_v1_0 | SPHZB86 Single-phonon X-ray scattering. J.S. Reid Comput. Phys. Commun. 42(1986)417 |
| AAOF_v1_0 | SIMULAPO Simulation of powder EPR spectra with axial symmetry. R.S. de Biasi, J.A.M. Mendonca Comput. Phys. Commun. 28(1982)69 |
| AAQB_v1_0 | FIREFLY II A program for the calculation of X-ray reflection intensities. I.F. Ferguson, J.E. Kirwan Comput. Phys. Commun. 5(1973)328 |
| AAQB_v2_0 | FIREFLY IV A program for the calculation of X-ray reflection intensities, Part 2. I.F. Ferguson Comput. Phys. Commun. 10(1975)42 |
| AAQD_v1_0 | FIREBIRD 2 A program for the calculation of the positions of X-ray powder reflections. I.F. Ferguson, R.S. Fox, T.E. Hughes Comput. Phys. Commun. 12(1976)305 |
| AAQE_v1_0 | PLOMAC Plot program for Laue patterns and stereographic projections. E. Preuss Comput. Phys. Commun. 18(1979)261 |
| AAQF_v1_0 | COL Calculation of crystal orientations using Laue patterns. E. Preuss Comput. Phys. Commun. 18(1979)277 |
| AASA_v1_0 | STLPLT STLPLT-CALCOMP plot of crystallographic projections of Laue photographs. M. Canut-Amoros Comput. Phys. Commun. 1(1970)293 |
| AASB_v1_0 | CORECTEX Slit height smearing correction in small angle X-ray scattering I: intensity correction program. M. Deutsch Comput. Phys. Commun. 17(1979)337 |
| AASB_v1_0 | 0001 CORECTSP Slit height smearing correction in small angle X-ray scattering III: intensity correction program adaptation to arbitrary slit transmission function. M. Deutsch Comput. Phys. Commun. 18(1979)143 |
| AASC_v1_0 | FFITEX Slit height smearing correction in small angle X-ray scattering II: computation of the correction function. M. Deutsch Comput. Phys. Commun. 17(1979)345 |
| AASD_v1_0 | GTSPLINE Slit height smearing correction in small angle X-ray scattering IV: computation of the correction function for an arbitrary slit transmission function. M. Deutsch Comput. Phys. Commun. 18(1979)149 |
| AASE_v1_0 | PROVA PROVA: a program for the calculation of X-ray powder spectra (ordered and disordered structures). A. Martorana, R. Zannetti, A. Marigo, D. Ajo, V. Malta Comput. Phys. Commun. 27(1982)49 |
| ABFA_v1_0 | MORANG MORANG: a computer program designed to aid in the determinations of crystal morphology. R. Docherty, K.J. Roberts, E. Dowty Comput. Phys. Commun. 51(1988)423 |
| ABLL_v1_0 | XRLINE XRLINE, a program to evaluate the crystallite size of supported metal catalysts by single x-ray profile Fourier analysis. N. Aldea, E. Indrea Comput. Phys. Commun. 60(1990)155 |
| ABLL_v1_0 | 000A CORRECTION 19/12/90 XRLINE: a program to evaluate the crystallite size of supported metal catalysts by single x-ray profile Fourier analysis. (C.P.C. 60(1990)155). N. Aldea, E. Indrea Comput. Phys. Commun. 64(1991)343 |
| ABMT_v1_0 | XRAY2 A simple FORTRAN program to interpret cubic X-ray powder diffraction data. E.D. von Meerwall Comput. Phys. Commun. 11(1976)331 |
| ABTB_v1_0 | PROPLT A three-dimensional protein graphic program. D.R. Lu, K. Park Comput. Phys. Commun. 60(1990)257 |
| ABVG_v1_0 | POWDER Simulation of EPR-spectra of randomly oriented samples. See erratum Comp. Phys. Commun. 28(1982)217. C. Daul, C.W. Schlapfer, B. Mohos, J. Ammeter, E. Gamp Comput. Phys. Commun. 21(1981)385 |
| ABVT_v1_0 | PLATTSUM PLATTSUM: a Fortran program that evaluates electrostatic lattice sums by the planewise summation method. J.A. Hernando, V. Massidda Comput. Phys. Commun. 22(1981)13 |
| ABVT_v1_0 | 000A CORRECTION 07/09/81 PLATTSUM: a Fortran program that evaluates electrostatic lattice sums by the planewise summation method. (C.P.C. 22(1981)13). J.A. Hernando, V. Massidda Comput. Phys. Commun. 25(1982)111 |
| ABVT_v2_0 | PLATTSUM2 A modification to PLATTSUM, a program that evaluates electrostatic lattice sums by the planewise summation method. J.A. Hernando, V. Massidda Comput. Phys. Commun. 30(1983)403 |
| ABZL_v1_0 | HABIT HABIT: a program for predicting the morphology of molecular crystals. G. Clydesdale, R. Docherty, K.J. Roberts Comput. Phys. Commun. 64(1991)311 |
| ACFX_v1_0 | FIREFLY VI (FIRECOMET) A program for the calculation of the intensities of X-ray or neutron powder reflections, Part 3. I.F. Ferguson, A.D. Hardy, M.U. Modi, A.H. Rogerson Comput. Phys. Commun. 32(1984)83 |
| ACFY_v1_0 | FIRESTAR A program for the derivation of crystal unit cell parameters from X- ray powder diffraction measurements. I.F. Ferguson, A.H. Rogerson Comput. Phys. Commun. 32(1984)95 |
| ACGX_v1_0 | POWDERSPEC POWDERSPEC: a program for efficient simulation of isotropic EPR spectra. V. Beltran-Lopez, L. Gonzalez-Tovany Comput. Phys. Commun. 69(1992)397 |
| ACGX_v2_0 | POWDERSPEC 2 POWDERSPEC 2, a library of new programs for efficient simulation of powder EPR spectra. V. Beltran-Lopez, L. Gonzalez-Tovany Comput. Phys. Commun. 79(1994)533 |
| ACLK_v1_0 | LAUEOR Laue crystallographic orientation with a fixed detector. J.S. Reid Comput. Phys. Commun. 75(1993)259 |
| ACPI_v1_0 | REX REX: a least-squares fitting program for the simulation and analysis of X-ray reflectivity data. T.A. Crabb, P.N. Gibson, K.J. Roberts Comput. Phys. Commun. 77(1993)441 |
| ADAF_v1_0 | SBGBBG SBGBBG, a program to evaluate the macroscopic strain/stress tensor of a polycrystalline sample from X-ray reflection positions. T. Wieder Comput. Phys. Commun. 85(1995)398 |
| ADAS_v1_0 | AUTOX AUTOX: a program for autoindexing reflections from multiphase polycrystals. V.B. Zlokazov Comput. Phys. Commun. 85(1995)415 |
| ADBQ_v1_0 | SERENA, Version 1.0 SERENA: a program for calculating X-ray diffuse scattering intensities from molecular dynamics trajectories. A.M. Micu, J.C. Smith Comput. Phys. Commun. 91(1995)331 |
| ADDM_v1_0 | WVM WVM: a computer program for the determination of lattice parameters and strains in thin films. T. Wieder Comput. Phys. Commun. 96(1996)53 |
| ADHT_v1_0 | ABSFAC ABSFAC: a program for the calculation of the absorption during scattering in multifaceted crystals and similar samples. R.C. Clark, J.S. Reid Comput. Phys. Commun. 111(1998)243 |
| ADNI_v1_0 | TensErLEED Fast LEED intensity calculations for surface crystallography using Tensor LEED. V. Blum, K. Heinz Comput. Phys. Commun. 134(2001)392 |
| ADNU_v1_0 | QCDiffractor A computer program written in Mathematica for calculating H2 quasicrystals and their diffraction patterns. R. Grodzicky Comput. Phys. Commun. 136(2001)236 |
| ADTP_v1_0 | IonRock, version 1.0 IonRock: software for solving strain gradients of ion-implanted semiconductors by X-ray diffraction measurements and evolutionary programming L. Bleicher, J. M. Sasaki, R. V. Orloski, L. P. Cardoso, M. A. Hayashi, J. W. Swart Comput. Phys. Commun. 160(2004)158 |
| ADUY_v1_0 | RHEED Dynamical calculations for RHEED intensity oscillations Andrzej Daniluk Comput. Phys. Commun. 166(2005)123 |
| ADUY_v1_1 | RHEED_v2 An extension of the computer program for dynamical calculations of RHEED intensity oscillations. Heterostructures Andrzej Daniluk Comput. Phys. Commun. 176(2007)70 |
| ADUY_v2_0 | RHEEDGr A new version of a computer program for dynamical calculations of RHEED intensity oscillations Andrzej Daniluk, Kazimierz Skrobas Comput. Phys. Commun. 174(2006)83 |
| ADUY_v3_0 | RHEEDGR-09 Model-Driven Development for scientific computing. An upgrade of the RHEEDGr program. Andrzej Daniluk Comput. Phys. Commun. 180(2009)2394 |
| ADUY_v4_0 | RHEED1DProcess Model-Driven Development for scientific computing. Computations of RHEED intensities for a disordered surface. Part I Andrzej Daniluk Comput. Phys. Commun. 181(2010)707 |
| ADVL_v1_0 | GROWTH Kinematical calculations of RHEED intensity oscillations during the growth of thin epitaxial films Andrzej Daniluk Comput. Phys. Commun. 170(2005)265 |
| ADVL_v2_0 | GROWTHgr, GROWTH06 Multithreaded transactions in scientific computing: New versions of a computer program for kinematical calculations of RHEED intensity oscillations Marcin Brzuszek, Andrzej Daniluk Comput. Phys. Commun. 175(2006)678 |
| ADVL_v2_1 | GROWTH06_v2 Multithreaded transactions in scientific computing. The Growth06_v2 program Andrzej Daniluk Comput. Phys. Commun. 180(2009)1219 |
| ADVL_v3_0 | Growth09 Model-Driven Development for scientific computing. Computations of RHEED intensities for a disordered surface. Part II Andrzej Daniluk Comput. Phys. Commun. 181(2010)709 |
| ADVL_v4_0 | GrowthCP Cooperative and competitive concurrency in scientific computing. A full open-source upgrade of the program for dynamical calculations of RHEED intensity oscillations Andrzej Daniluk Comput. Phys. Commun. 182(2011)1389 |
| ADYU_v1_0 | BilKristal Pattern Information Extraction from Crystal Structures Erhan Okuyan, Ugur Güdükbay, Oguz Gülseren Comput. Phys. Commun. 176(2007)486 |
| AEBG_v1_0 | ETSF_IO Sharing electronic structure and crystallographic data with ETSF IO D. Caliste, Y. Pouillon, M.J. Verstraete, V. Olevano, X. Gonze Comput. Phys. Commun. 179(2008)748 |
| AEIM_v1_0 | CIF2Cell CIF2Cell: Generating geometries for electronic structure programs Torbjörn Björkman Comput. Phys. Commun. 182(2011)1183 |
| AELW_v1_0 | Sassena Sassena - X-ray and Neutron Scattering Calculated from Molecular Dynamics Trajectories using Massively Parallel Computers Benjamin Lindner, Jeremy C. Smith Comput. Phys. Commun. 183(2012)1491 |
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