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Journal Article
Computer Physics Communications, ISSN 0010-4655, 02/2016, Volume 199, Issue C, pp. 61 - 85
Journal Article
Journal of Applied Crystallography, ISSN 1600-5767, 10/2013, Volume 46, Issue 5, pp. 1513 - 1517
NCImilano, a Fortran90 code for applying the reduced density gradient (RDG) descriptor to a real‐space study of noncovalent interactions, is presented. This... 
energy density | reduced density gradients | electron density | noncovalent interactions | CHARGE-DENSITY | KINETIC-ENERGY DENSITY | MOLECULAR-CRYSTALS | REGIONS | ATOMS | CRYSTALLOGRAPHY | POLYMORPHISM | CHEMISTRY, MULTIDISCIPLINARY | ORGANIC-CRYSTALS | Quantum physics | Crystallography | Platforms | Communities | Quantum mechanics | X-rays | Crystals | FORTRAN | Electron density | Plotting
Journal Article
1988, ISBN 9783905135299, 432
Book
Astronomy and Astrophysics, ISSN 0004-6361, 06/2015, Volume 578, p. A63
Journal Article
Computer Physics Communications, ISSN 0010-4655, 10/2011, Volume 182, Issue 10, pp. 2232 - 2248
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 05/2019, Volume 40, Issue 14, pp. 1471 - 1482
Despite initiatives to improve the quality of scientific software, there still is a large presence of legacy code. The focus of such code is usually on... 
vectorization | molecular dynamics | AIREBO | many‐body potential | testing | many-body potential | ORDER | ENERGY | POTENTIALS | SIMD | MOLECULAR-DYNAMICS SIMULATIONS | CHEMISTRY, MULTIDISCIPLINARY | Molecular dynamics
Journal Article
2000, Advances in boundary elements series, ISBN 9781853125706, Volume 7., 238 p., [4] p. of plates
Book
International Journal for Numerical Methods in Fluids, ISSN 0271-2091, 05/2012, Volume 69, Issue 2, pp. 314 - 331
SUMMARY The development of automatic techniques to port a substantial portion of FEFLO, a general‐purpose legacy CFD code operating on unstructured grids, to... 
graphics hardware | computational fluid dynamics | GPUs | Fortran | Computational fluid dynamics | Graphics hardware | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | MECHANICS | PHYSICS, FLUIDS & PLASMAS | EULER
Journal Article
ACM Transactions on Mathematical Software (TOMS), ISSN 0098-3500, 06/2004, Volume 30, Issue 2, pp. 118 - 144
Journal Article
ACM Transactions on Parallel Computing (TOPC), ISSN 2329-4949, 01/2019, Volume 5, Issue 2, pp. 1 - 42
We introduce "Hybrid Fortran," a new approach that allows a high-performance GPGPU port for structured grid Fortran codes. This technique only requires minimal... 
CUDA | weather prediction | OpenACC | performance models | fortran | GPGPU | Performance models | Weather prediction | Fortran
Journal Article
Computer Physics Communications, ISSN 0010-4655, 11/2014, Volume 185, Issue 11, pp. 3067 - 3068
Theory and FORTRAN program of the first version of this code (TRIAXIAL) have already been described in detail in Computer Physics Comm. 156 (2004) 241–282. A... 
Wave functions | Energy levels | Schrodinger equation | Woods–Saxon potential | Nuclear physics | Woods-Saxon potential | COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS | PHYSICS, MATHEMATICAL | Subroutines | Format | Eigenvalues | FORTRAN | Eigenfunctions | Summaries | Mathematical models | Windows (computer programs)
Journal Article
AIP Advances, ISSN 2158-3226, 07/2016, Volume 6, Issue 7, p. 75208
In this paper, we describe the structure of a new Direct Simulation Monte Carlo (DSMC) code that takes advantage of combinatorial geometry (CG) to simulate any... 
NANOSCIENCE & NANOTECHNOLOGY | PHYSICS, APPLIED | GAS FLOWS | DSMC | AIRFOIL | MATERIALS SCIENCE, MULTIDISCIPLINARY | Finite element method | Monte Carlo method | Computer simulation | Parallel processing | FORTRAN | Particle tracking | Combinatorial analysis | Rarefied gases | Mesh generation
Journal Article