Search Results for "implicit"

FFTW++ is a C++ header class for the FFTW Fast Fourier Transform library that automates memory allocation, alignment, planning, wisdom, and communication on both serial and parallel (OpenMP/MPI) architectures. In 2D and 3D, hybrid dealiasing of convolutions substantially reduces memory usage and computation time. Wrappers for C, Python, and Fortran are included.

...We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model. CAMPARI is a joint package for performing and analyzing molecular simulations, in particular of systems of biological relevance. It focuses on a wide availability of algorithms for (advanced) sampling and is capable of combining Monte Carlo and molecular dynamics in seamless fashion. CAMPARI offers the user a very high level of control over all implemented features. ...

This software has moved to http://www.poissonboltzmann.org/.

Abaqus implementation (through UEL subroutine) of the incremental energy/dissipation based arc-length method. Suitable for physically non-linear, geometrically linear solid mechanics problems solved through an implicit solution algorithm. The zip file includes a read-me pdf giving information about how to use the files. The details are presented in the following paper : Author : İ. Özdemir 'An alternative implementation of the incremental energy/dissipation based arc-length control method', Theoretical and Applied Fracture Mechanics, Vol. 100, April 2019, 208-2014

This library contains several of user material subroutines for implicit quasi-static (UMAT) and explicit dynamic (VUMAT) versions of the Abaqus solver. The project web site: http://abumpack.sf.net. The Abaqus is a proprietary finite element (FE) code ( http://www.3ds.com/products-services/simulia/products/abaqus/). Users can write subroutines for use with the Abaqus. Linear elastic, isotropic hardening plasticity, Gurson-Tvergaard-Needleman (GTN), Rousselier constitutive models are provided. ...

Molecular Graphics, Molecular Dynamics, Optimization, Quantum chemistry. Molecular model building. Explicit and implicit water models. http://www.biomolecular-modeling.com/Products.html

WARNING: Project moved to http://github.com/scemama/irpf90 IRPF90 is a Fortran90 preprocessor written in Python for programming using the Implicit Reference to Parameters (IRP) method. It simplifies the development of large fortran codes in the field of scientific high performance computing.