Search Results for "theory"
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Showing 24 open source projects for "theory"
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An all-electron full-potential linearised augmented-planewave (FP-LAPW) code. Designed to be as developer friendly as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably.
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CEFT/E-Space
This work did not begin with a theory. It began with a question.
Preface: On the Road to Co‑Emergence This work did not begin with a theory. It began with a question — a displacement — and the long, recursive response that followed. For years, physics, philosophy, computation, and consciousness studies have circled the same paradoxes: How can something arise from nothing? Why does the vacuum have structure? Why do infinities appear where our theories should be smooth? -
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...The code includes built-in fitting procedures with a wide variety of constraints; stochastic SR energy loss; the tracking of synchrotron radiation (SR) Poynting vector; space charge models; various Monte Carlo procedures, etc. Contact: francoisgmeot@gmail.com Documentation (History of accelerators that zgoubi deals with, theory, tutorials): https://link.springer.com/book/10.1007/978-3-031-59979-8 https://link.springer.com/book/10.1007/978-3-031-16715-7, Chap. 14.
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CAMPARI
Software for molecular simulations and trajectory analysis
...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. ... -
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eprb_signal_correlations
Simulation of a two-channel Bell test, with closed-form proofs
Derivation, entirely by probability theory, of the correlation coefficient for a two-channel Bell test, with simulation in Ada and other languages. The Nobel Committe for Physics bans this program for subversive content. (Mirror of the repository at https://github.com/chemoelectric/eprb_signal_correlations) -
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JDFTx
Joint Density Functional Theory
JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information. -
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Kanon
A tool for examining renormalizable field theories (physics).
A tool for physics/field theory. Allows to a assemble an action integral interactively by drag and drop. Checks whether the action integral is scale invariant. Allows to determine additional marginal interactions. Contains data of dozens of renormalizable field theories. -
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RMGDFT
Real Space Multigrid based electronic structure code.
...Sources are available with binaries to follow soon. News: V2.1 with many improvements released on 07/15/2016. Sources and binaries are available. RMG is a density functional theory (DFT) based electronic structure code that uses real space grids to represent wavefunctions, charge densities and ionic potentials. Designed for scaleability it has been run successfully on systems with thousands of nodes and hundreds of thousands of CPU cores. It is currently under active development and contributions are gladly accepted. -
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AnharmoniCAOS
Cagliari-Orsay model for anharmonic molecular spectra in 2nd order PT
Given dynamical coefficients and/or derivatives of the ionic potential with respect to normal (harmonic) vibrational modes, compute anharmonic energies and electric dipole-permitted transitions and intensities using nearly-degenerate perturbation theory (i.e. properly accounting for Fermi and Darling-Dennison resonances). -
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Finite Transform Library
A Library is for Finite Transforms
The Library is for Finite Transforms such as the Number Theoretic Transform (NTT) and Finite Radon Transform (FRT). Current modules include NTTW for NTTs with high resolution (microsecond) timing, basic array and imaging. The transforms are optimised for performance. -
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Grid-based Coupled Electron and Electromagnetic field Dynamics (GCEED) is an open-source software package for massively parallel first-principles calculations of electron dynamics in real time and real space. The program codes are written in the Fortran 90/95 language with MPI and OpenMP. Time dependent density functional theory (TD-DFT) calculations can be performed on 100,000 CPU cores of K Computer with high parallel efficiency.
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Pi-Space Physics Software
A Physics Theory for Unifying Classical, Quantum and Relativistic Phys
This is the Official Software of the Pi-Space Physics Theory created by Martin Brady. I have a B.Sc. in Computer Applications from Dublin City University and I have an interest in software implementation of Physics. The Theory includes a Quantum Theory of Gravity as well as a reworking of Classical versions of Newton's Formulas. The Theory is based on a set of Relativistic Diagrams called Pi-Space Diagrams for those new to the Theory. ... -
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Molcrunch
An atomic or molecular electronic properties computational package
...Linear systems can be treated exactly within the full continuous D-infinity-h or C-infinity-v groups. The package is completely modular, allowing control over ordering of most steps within the limitations imposed by the theory. Flow is controled completely by tcsh shell scripts, many of which are provided in the package. Users may devise their own scripts, of course. -
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SAC - Symbolic Analysis and Control
CAS routines for theoretical analysis of nonlinear time-delay systems
SAC (Symbolic Analysis and Control) is a toolbox for people working in control theory. It will help to the analysis and synthesis of nonlinear systems described by state equations (with or without delays). -
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LIME
LIME is a software tool for creating multiphysics simulation codes.
The Lightweight Integrating Multiphysics Environment for coupling codes (LIME) is a small software package for creating multiphysics simulation codes. LIME is intended to be especially useful when separate computer codes (which may be written in any standard computer language) already exist to solve di fferent parts of a multiphysics problem. LIME provides the key high-level software (written in C++), a well defi ned approach (with example templates), and interface requirements to enable the... -
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DEXA is dedicated to providing post-experiment signal processing of DiffXAS signals. By combining ab initio theory with measured spectra, structural strain parameters may be extracted from the differential signals at an intrinsic, atomic scale.
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This software analyzes periodic dielectric gratings using an efficient numerical scheme based on Floquet Bloch theory. The software finds the propagation modes of a multilayer dielectric waveguide structure with periodic corrugations.
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A state-of-the-art full-potential linearised augmented-planewave (FP-LAPW) code. Designed to be as developer friendly as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably.
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Burkhard Heim's Mass Formula - A collection of programs that calculate the mass of a variety of sub-atomic particles, based on work by the late Burkhard Heim. http://www.heim-theory.com/
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KU1K is a set of tools for 4D,5D and 6D compact U(1) lattice gauge theory Monte Carlo simulation using the Skipis-Vantzos algorithm. As the calculations involved, even for the 4D case, are consuming, the project is modular so as to run on the Grid.
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toolbox with information and programs for Computer Aided Innovation The scientific background of Skidbladnir is known as the Theory of Inventive Problem Solving; in English abbreviated as TIPS or TRIZ, in German as TRIS.
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X-Bc (formerly: xbc) is a graphical user interface to the command line calculator bc. All Inputs and Outputs stays visible for editing and comparing. Functionality: trigonometry, number-theory, exponential funcs, scientific constants, primenumbers ...
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