akimovlab / project_nbra-bl-na-md_sincs Goto Github PK View Code? Open in Web Editor NEW 0.0 3.0 1.0 155.16 MB This repository contains the working files used in the work "Hot Electron Cooling in Silicon Nanoclusters via Landau-Zener Non-Adiabatic Molecular Dynamics: Size Dependence and Role of Surface Termination" Python 86.53% Shell 13.47% dftb xyz xyz-files trajectories adiabatic-molecular-dynamics landau-zener Introduction ยท People ยท Discuss
NAMD Output is not matching with the output files. 0p8nm_H1_step2 was uncompressed and the path of the hvib files was specified in NAMD/08nm/H1/1eV/run_step4.py Original output file : out_Markov.txt Output file after running run_step4.py on my system (No population and energy changes) : _out_Markov_new.txt
Vue.js ๐ Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
javascript JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Machine learning Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Facebook We are working to build community through open source technology. NB: members must have two-factor auth.