Search Results for "equilibrium"
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Showing 4 open source projects for "equilibrium"
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ASALI
ASALI is an open-source code for chemical engineers
Do you work with chemical reactors? Are you curious about them? ASALI is the open-source code that you are looking for. Chemical reactor models, transport/thermodynamic properties of gases, equilibrium calculations. ASALI couples all these features with an user friendly graphical interface. Modeling chemical reactors has never been so easy. -
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DAPS4
A Fortran code for design and analysis of ring-stiffened shells
DAPS4e is an updated version of a Fortran code by John Renzi for design and analysis of monocoque and ring-stiffened circular cylindrical shells. The following failure modes are considered: • Shell stresses and displacements at mid-bay and ring-frames. • Ring-frame stress. • Axisymmetric collapse (AC). • Elastic and Inelastic Interbay Buckling. (EIB and IIB). • Elastic and Inelastic Monocoque Instability (EMI and IMI). • Elastic and Inelastic General Instability (EGI and... -
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RMGDFT
Real Space Multigrid based electronic structure code.
News: active RMG development has moved to github https://github.com/RMGDFT News: V4.1.0 released on 09/29/2020 News: V4.0.0 released on 09/01/2020 with major updates. News: V3.0.0 released on 06/09/2018 with major updates. News: V2.2.2 released on 10/14/2017 with minor bug fixes. News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon. News: V2.1 with many improvements released on... -
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LSDMap
Locally-Scaled Diffusion Maps from molecular dynamics trajectories
LSDMap is a set of Fortran90 codes parallelised with MPI for the calculation of Locally Scaled Diffusion Maps. The eigenvectors of the diffusion matrix can be used to form a small set of reaction coordinates describing the behaviour of a high-dimensional data set such as an equilibrium MD trajectory. -
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