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active-learning-of-pes

ALPES: Stochastic active learning of potential energy surfaces.

anglepdf

angular-proability-density function exchange format and support functions

cmi-python-project-template

Template for new CMI Python-software projects

cmiclassirot

Molecular dynamics simulations of the rotational motion of nanoparticles in electric fields

cmiext

CMI Python extensions – general helper code for CFEL-CMI projects

cmifly

Trajectory-based simulations of the deflection of molecular beams in inhomogeneous electric fields

cminject

CMInject: A framework for particle injection trajectory simulations

cmistark

Stark effect calculations for molecules in dc electric fields

flowbasis

FlowBasis: Variational solutions of perturbed quantum harmonic oscillator problems via augmented basis sets.

online_processing

pecd

Quantum-mechanical calculations of photo-electron circular dichroism

py-confluence

Python tools for Confluence servers

pymepix

PymePix is a Python library that provides control and acquisition for the Timepix3-SPIDR hardware. The rich set of data-structures and intuitive routines reduces time and coding effort to quickly configure, acquire, and visualize data from Timepix3. The highly extensible high-performance data-pipeline allows for alteration of the Timepix3 datastream into a form that is convinient for the user. This library is intended to be easily inserted into a standard scientific software stack as well as to allow for more direct interaction of Timepix3 with interactive flavors of Python. Included with the library are two example programs using PymePix: PymePix-acq is a command line control and acquisition program that can capture UDP packets and decode them into pixels and triggers. The second is pymepixviewer, an online control and data-acquisition program for general use, but with features geared toward mass-spectroscopy and ion imaging.

pymepix-viewer

A simple GUI for Timepix3cam use with the pymepix library

richmol

Richmol is for variational simulations of molecular nuclear motion dynamics in fields

roaming_cf2i2

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