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A library to easily analyse output of the Heidelberg MCTDH code
This project aims to provide a set of routines to easily read in and manipulate the output of the Heidelberg MCTDH code.
The goal is to enable a new user to quickly get started with writing custom analysis programs. Also, it should enable more experienced users (== us) to write small, clean, and testable analysis programs, something that seems incompatible with the Fortran-77 code of the Heidelberg MCTDH package.
X-ray and Neutron powder pattern simulation analysis
Keywords (XNDiff):
-SAXS
-SANS
-absolute units
-core (double)shell crystalline nanoparticles -with a parallelepidal shape
-particle assemblies
-powder and ensemble average
-C/C++
-Unix
-OpenMP
-HPC Cluster
Keywords (BatchMultiFit):
-simultaneous fits for several SAXS and SANS curves with simulation data from XNDiff
-SANS data can be smeared with dq values from experimental data sets or analytical functions
-Mathematica console
-local and global optimizers (simulated annealing, differential evolution, Nelder-Mead, ...) can be used
-range for fit parameters and further constraints between fit parameters
-parallelized (typ. 4-8 threads)
TODO (BatchMultiFit):
-read and use errorbars from experimental data sets
-allow different q-ranges for different data sets in the fits
-rewrite and test in Python using e.g. the lmfit module:
https://pypi.python.org/pypi/lmfit/
to get rid of Mathematica and to run it on HPC clusters
Plot package for GALPROP https://sourceforge.net/projects/galprop
Plots models and data for cosmic-ray spectra, secondary/primary ratios, gamma rays, synchrotron. Includes gamma-ray source population synthesis and corresponding plots. For gamma rays, convolves models with the Fermi-LAT response.
This release is to assess interest. It requires many input data files (not included) which will be made available as required.
With the data provided cosmic-ray spectra and ratios and source...
...It supports instruments from Agilent, Eco Physics, ICS Electronics, Keithley, Omega, Teledyne and other manufacturers. The script language is XML-based. Syntax highlighting is available. The source code is included in the distribution. Contact the project admin to get SVN access.
3 levels density matrix simulation. Currently it enables you to get time solvetions for three-level systems. It's generates files with time solvetions for density matrix. In the future It will solve multilevel atomic system on MPI.
This script allows you to host a LHC@home-Counter on your server, so that you and other users can get LHC@home-counterpictures which are often used as forum signatures.