Option 8 added to CHELPG/MK interfaces to constrain atomic charges to reproduce the electric dipole moment.
In computational chemistry, it is standard practice to cite the methodology paper (2012) while specifying the software version used (e.g., "Calculations were performed using Multiwfn 3.8" followed by the citation). This gives credit to the creators for the core algorithms while allowing readers to identify the specific bug fixes or features present in version 3.8.
: Official precompiled versions are not available, but you can find user-maintained builds on Download the Manual : It is highly recommended to download the Multiwfn 3.8 Manual
Multiwfn 3.8 is backward compatible but settings files from older versions may cause conflicts. Keep separate folders for v3.7 and v3.8, then migrate custom settings.ini manually.
Option 8 added to CHELPG/MK interfaces to constrain atomic charges to reproduce the electric dipole moment.
In computational chemistry, it is standard practice to cite the methodology paper (2012) while specifying the software version used (e.g., "Calculations were performed using Multiwfn 3.8" followed by the citation). This gives credit to the creators for the core algorithms while allowing readers to identify the specific bug fixes or features present in version 3.8.
: Official precompiled versions are not available, but you can find user-maintained builds on Download the Manual : It is highly recommended to download the Multiwfn 3.8 Manual
Multiwfn 3.8 is backward compatible but settings files from older versions may cause conflicts. Keep separate folders for v3.7 and v3.8, then migrate custom settings.ini manually.