Project Summary
CP2K is a program to perform atomistic and molecular simulations of solid state, liquid, molecular, and biological systems. It provides a general framework for different methods such as e.g., density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW) and classical pair and many-body potentials.
CP2K is freely available under the GPL license. It is written in Fortran 95 and can be run efficiently in parallel.
In a Nutshell, CP2K...
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has a well established, mature codebase
maintained by a very large development team
with stable Y-O-Y commits -
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took an estimated 286 years of effort (COCOMO model)
starting with its first commit in June, 2001
ending with its most recent commit 5 days ago
Quick Reference
GNU General Public License v2.0 or later
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Project Security
Vulnerabilities per Version ( last 10 releases )
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30 Day SummaryMay 11 2024 — Jun 10 2024
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12 Month SummaryJun 10 2023 — Jun 10 2024
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