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title: Release 3.0 Preview
parent: Releases
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summary: “Notes for the upcomming CREST version”
permalink: /page/releases/release_preview.html
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# CREST Release 3.0 Preview
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<div class="label label-green">CREST 3.0 preview</div>
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## CREST 3.0 Preview
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- New input file reader
- Energy- and gradient-based interface for calculations
- Standalone ANCOPT implementation (RF optimizer with BFGS update step in approximate normal coordinates)
- Standalone MD and metadynamics module
- Standalone implementation of geometrical constraints
- New minimum energy crossing point (MECP) algorithm (see Examples/MECP Calaculations)
- Integration of the tblite API
- Integration of a GFN0-xTB API (see J. Phys. Chem. Lett. 2023, 14, 19, 4440–4448)
- Integration of the TOML-F parser
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To try out new implementations of CREST 3, build the development version from source.
Note, that development is done with intel (ifort/icc
) compilers, so there might be some issues for GNU (gfortran/gcc
) builds.
The respective code can be found in the 3.0dev
branch of the repository:
![](/crest-docs/assets/images/install-3dev.png)