Search Results for "electrostatics"
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Showing 7 open source projects for "electrostatics"
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Our computer monitoring software allows employees, field contractors, and freelancers to manually clock in when they begin working on an assignment. The application will take screenshots randomly or at set intervals, which allows employers to observe the work process. The application only tracks activity when the employee is clocked in. No spying, only transparency.
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ConnectWise SIEM (formerly Perch) offers threat detection and response backed by an in-house Security Operations Center (SOC). Defend against business email compromise, account takeovers, and see beyond your network traffic. Our team of threat analysts does all the tedium for you, eliminating the noise and sending only identified and verified treats to action on. Built with multi-tenancy, ConnectWise SIEM helps you keep clients safe with the best threat intel on the market.
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APBSmem is a Java-based graphical user interface for Poisson-Boltzmann electrostatics calculations at the membrane. APBS version 1.2.0 or later is required.
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MaxFEM
Software for electromagnetic simulation
MaxFem is an open software package for electromagnetic simulation by using finite element methods. The package can solve problems in electrostatics, direct current, magnetostatics and eddy-currents. Since version 0.4.0, MaxFEM requires Python 3. We have moved the installers to the MaxFEM website (see below). In order to improve MaxFEM, we will require you to fill out a simple form before downloading them. -
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APBS
Biomolecular electrostatics software
This software has moved to http://www.poissonboltzmann.org/. -
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tabipb
A treecode-accelerated boundary integral Poisson-Boltzmann solver
...), where N is the number elements. REFERENCE: W.H. Geng and R. Krasny, A treecode-accelerated boundary integral Poisson-Boltzmann solver for continuum electrostatics of solvated biomolecules, J. Comput. Phys. 247, 62-87 (2013) This material is based upon work supported under NSF Grant DMS-0915057, DMS-1418966, DMS-1418957. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the NSF. -
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hobipb
a higher-order boundary integral Poisson-Boltzmann solver
... on regular triangles and sixteen-point Gauss-Legendre quadratures together with regularization transformations are applied on singular triangles. We take advantage of the embarrassingly parallel feature of boundary integral formulation, and parallelize the schemes with the message passing interface (MPI) implementation. REFERENCE: W.H. Geng, Parallel higher-order boundary integral electrostatics computation on molecular surfaces with curved triangulation, J. Comput. Phys., 241, 253-265 (2013). -
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This project contains a custom version of the GROMACS molecular dynamics software package that helps users to choose parameters for the PME electrostatics model which produce a known error in the PME approximation for minimal computational cost.
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MIPGen
Simple Molecular Interaction Potential Generator in Python
Molecular Interaction Potential Generator MIPGEN is a python program that will calculate Molecular Interaction Potential grids over a given molecule, that could be either a protein or a small organic compound (drug). The output will be a series of grids with DX format (*.dx) that the user will be able to visualize using any Molecular visualization program like VMD, PyMol, Chimera... For more information on dependencies and usage, please read the Documentation. Users are welcome to post...
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