The Electron Pair Localization Function (EPLF) helps to understand chemical bonding in molecular systems. This code uses a modified formulation which allows the exact calculation of the EPLF for usual wave functions (HF,KS,CAS,...)

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Categories

Molecular Science, Chemistry, Physics

License

GNU General Public License version 2.0 (GPLv2)

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Additional Project Details

Operating Systems

Linux

Intended Audience

Science/Research

Programming Language

Fortran

Related Categories

Fortran Molecular Science Software, Fortran Chemistry Software, Fortran Physics Software

Registered

2009-09-29
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