photox Goto Github PK
Name: PHOTOX
Type: Organization
Bio: Laboratory of theoretical chemistry, prof. Petr Slavíček
Location: Prague
Blog: http://photox.vscht.cz/
Name: PHOTOX
Type: Organization
Bio: Laboratory of theoretical chemistry, prof. Petr Slavíček
Location: Prague
Blog: http://photox.vscht.cz/
Multipurpose ab initio MD program.
Documentation for ABIN, see https://github.com/PHOTOX/ABIN
A file from AmberTools/SANDER program that manages communication with TeraChem
code moved to PHOTOX repository
Skripta z chemické kinetiky
the Fano-CI code for the computation of decay widths of Fano resonances
modified copy of repository at https://svn.fysik.dtu.dk/projects/ase/trunk
Soubor cvičení v programu ORCA pro předmět Praktikum z kvantové chemie
DEPRECATED: Skripta kvantové chemie pro stejnojmenný předmět na VŠCHT Praha.
Inputs, scripts and other useful stuff
Program for N-dimensional numerical quantum propagation on a grid.
Materials for "Quantum Mechanics: Hands on" lecture at UCT Prague
Make our scripts great again! #MOSGA
the Stieltjes procedure correcting for the normalization of the pseudocontinuum
Given the parameters of a Generalized Langevin Equation and the vibrational density of states predicts the velocity-velocity autcorrelation obtained by the dynamics. Conversely, given the velocity-velocity autocorrelation function removes the disturbance affected by the thermostat and returns the underlying vibrational density of states.
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JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
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A server is a program made to process requests and deliver data to clients.
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Open source projects and samples from Microsoft.
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Data-Driven Documents codes.
China tencent open source team.