Search Results for "c--" - Page 4
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Showing 667 open source projects for "c--"
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bruread is a program to read and display NMR data in the Bruker XWIN-NMR format. The program has a command-line interface and a graphic display based on gnuplot. - Note that this is only an NMR spectrum *viewer*, not a full-fledged data evaluation suite
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cdfread is a program for people wirking with mass spectrometry datasets. cdfread implements the routines to read mass spectra and mass chromatograms from data files in netCDF ("Andi-MS") format. Centroid and profile data are supported.
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VASPMO
Visualization of wavefunctions calculated by VASP (New release: v0.41)
VASPMO aims at visualizing wavefunctions (or molecular orbitals) from VASP calculations. It reads VASP's output files PROCAR and CONTCAR, and exports an *.out file in Gaussian's output format, which can be visualized by many popular visualization tools, such as JMol, Molekel, Chemcraft, Gabedit and Molden, etc. These tools can further generate *.cube files, which can be visualized by an even wider range of... -
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MesoRD is a stochastic and deterministic simulator of coupled chemical reactions and diffusions in space.
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Quan is designed to model physical quantities in C++ programs. Advantages include automated dimensional analysis checking, automatic unit conversions, self documentation of code.
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Zarja
Agent-based simulation toolkit
It is an open source scientific library that is focused on multi-agent simulations on graphs. It prepares basic toolkit for agents, models, timers, graphs, nodes and edges. It is also accompanied with tools for data processing. -
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Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
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Towhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields and the Gibbs ensemble with particular attention paid to algorithms addressing molecule conformation sampling.
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SPIRE
A tool to compute projections of membrane structures
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DCT
Diffraction Contrast Tomography analysis code
Diffraction contrast tomography code base, as developed by researchers from beamline ID19 of the ESRF, Grenoble, France, and Manchester University, UK. -
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Tools for analysis of multiwavelength anomalous diffraction data collected on synchrotron beamlines, more specifically developed for grazing incidence diffraction on nanostructures.
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pyrpl
PyRPL turns your Red Pitaya into a powerful analog feedback device.
The Red Pitaya is a commercial, affordable FPGA board with fast analog inputs and outputs. This makes it useful for quantum optics experiments, in particular as a digital feedback controller for analog systems. Based on the open source software provided by the board manufacturer, PyRPL (Python RedPitaya Lockbox) implements many devices that are needed for optics experiments with the Red Pitaya. PyRPL implements various digital signal processing (DSP) modules (see features below). It allows... -
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Takin
Inelastic neutron scattering suite.
The main development repository can be found here: https://code.ill.fr/scientific-software/takin -
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An SNTP client for Virtual PC. It is for machines that do not have a sane time and a working hardware RTC. It synchronize the system time frequently with a nearby NTP server. It uses settimeofday(). It is based on RFC 1769 and RFC 1305.
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Gpredict
Real time satellite tracking and orbit prediction
Gpredict is a real-time satellite tracking and orbit prediction application. Gpredict can track an unlimited number of satellites and display the data in tables and various graphical view. -
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Geophysical Library is a C++-library to handle geophysical data. At the moment the focus is on magnetotelluric and seismic data. It also includes a genetic algorithm for data inversion, signal processing and statistics routines.
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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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DMRG-MPO
Density Matrix Renormalization Group to a general MPO
Ground state and dynamics of a Matrix Product Operator -
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C++QED
A framework for simulating open quantum dynamics
C++QEDv2 specifies a small grammar to describe composite quantum systems. Apart from providing a number of elements out of the box, there are tools which facilitate the implementation of new elements. These are being added continuously, as the need arises. The principal concept of the design of C++QEDv2 is that all information available at compile time should be processed as such, with the help of TMP. -
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APBS
Biomolecular electrostatics software
This software has moved to http://www.poissonboltzmann.org/. -
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Rocstar Multiphysics Application
Parallel coupled multiphysics simulation application
Rocstar is a multiphysics simulation application designed to do fluid-structure interaction (FSI) across moving, reacting interfaces. Rocstar couples multiple domain-specific simulation packages and disparately discretized domains and provides several simulation-supporting services including conservative and accurate data transfer, surface propagation, and parallel I/O. Rocstar is MPI parallel and routinely executes large simulations on massively parallel platforms. Rocstar was originally... -
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Applications and device drivers for the EPICS real time database system (see http://www.aps.anl.gov/epics)
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F3DM
Finite Element Method on 3D Meshes
f3dmlib is a FEM library that can read, write and analyse 3D tetrahedral meshes, minimize a given functional, and refine the resulting meshes. The minimization is parallelized with OpenMP. Three main features in unstable 1.8.x version (available via GIT): quadratic elements, periodic boundary conditions, and the solver for scalar and electromagnetic wave equations. f3dmgeom is a collection of a few simple tools for creating surface meshes for tetgen. It can handle simple geometries only.
