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Set the environment variable in your .bashrc : export Multiwfnpath=/path/to/Multiwfn_folder . Add the folder to your PATH for global access.
While not officially precompiled, community-maintained builds are available via GitHub . New Features in Version 3.8
Option 8 added to CHELPG/MK interfaces to constrain atomic charges to reproduce the electric dipole moment.
The official source for all Multiwfn versions is the Multiwfn Official Website . Download Binary (RAR)
macOS users are encouraged to use the Linux version remotely if possible, as native GUI support can be limited. For local installation, users should follow the manual compilation steps using Intel Fortran or community scripts. Compilation of Multiwfn for Mac with Apple Silicon chips
is a comprehensive, open-source program designed for high-efficiency wavefunction analysis in quantum chemistry. Formally released on January 7, 2026 , this version introduces significant enhancements, including support for high-level wavefunctions (CCSD(T), CCSDT) and the implementation of the modified Independent Gradient Model (mIGM). Direct Download Links
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Set the environment variable in your .bashrc : export Multiwfnpath=/path/to/Multiwfn_folder . Add the folder to your PATH for global access.
While not officially precompiled, community-maintained builds are available via GitHub . New Features in Version 3.8 multiwfn 3.8 download
Option 8 added to CHELPG/MK interfaces to constrain atomic charges to reproduce the electric dipole moment. Set the environment variable in your
The official source for all Multiwfn versions is the Multiwfn Official Website . Download Binary (RAR) New Features in Version 3
macOS users are encouraged to use the Linux version remotely if possible, as native GUI support can be limited. For local installation, users should follow the manual compilation steps using Intel Fortran or community scripts. Compilation of Multiwfn for Mac with Apple Silicon chips
is a comprehensive, open-source program designed for high-efficiency wavefunction analysis in quantum chemistry. Formally released on January 7, 2026 , this version introduces significant enhancements, including support for high-level wavefunctions (CCSD(T), CCSDT) and the implementation of the modified Independent Gradient Model (mIGM). Direct Download Links