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We are proud to introduce version 5 of CAMPARI. 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...

Coarrays are native Fortran means for SPMD parallel programming. At runtime multiple copies of the executable (called images) are executing asynchronously. The F2008 standard provides coarray syntax, remote calls, coarray data objects, allocatable coarrays, syncronisation, atomics, etc. F2018 adds new functionality, e.g. collectives, teams, events, more atomics. Coarrays are used extensively in CASUP library for HPC (https://cgpack.sourceforge.io). The course is aimed at experienced...

MieConScat is a GUI/Console program for generating MIE SCATtering data as a table of cross sections. It can generate scattering cross sections over specified angular ranges and total absorption cross sections. It was initially developed to aid work with optical particle counters (OPC) especially when CONverting data between cross section and diameter space. These methods are described in Rosenberg et al. 2012, Particle sizing calibration with refractive index correction for light scattering...

We've moved to https://github.com/tjod/gMol/wiki gMol is an interactive visualization system used to display and manipulate 3-dimensional models of scientific data, such as molecular structures and surfaces. It contains both OpenGL and web browser widgets that enable flexible user interfaces.