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Showing 2 open source projects for ".qm files"
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Managing your therapy and rehab practice is a time-consuming process. You spend hours on paperwork, billing, scheduling, and more. Raintree’s Therapy & Rehab EHR is here to help you manage your practice more efficiently. With our all-in-one solution, you’ll get the tools you need to streamline your therapy and rehab practice, improve patient care, and get back to doing what you love.
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ForceGen
Derives force constants from Gaussian QM for Gromacs MD
... the second order tensor of the Hessian from molecular fragments. The output has been made compatible with the Gromacs topology format. Examples of use include the derivation of bond force constants and equilibrium values for: -bonded metals in protein active sites -modified amino acids -small molecules/drug molecules A zip of examples files can be found by following the "Browse All Files" link. Written by Dr Anthony Nash (Oxford) Supported by Dr Thomas Collier, Prof Helen Birch & -
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toastpp Slab
Solve the diffuse optical tomography (DOT) problem in a slab geometry.
Using TOAST++, the DOT problem is solved in a slab geometry. The forward solution at various detector positions is compared to the analytical solution to the diffusion equation. The analytical solution was calculated using different boundary conditions than those used by TOAST++, so the solutions are similar but not exactly the same. The code is written in MATLAB, and the steps are split into .m files. The steps are: 1. Generate slab nodes 2a. Generate mesh with tetgen 2b. Check mesh...
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