New release of DGrid

DGrid is a program developed by Dr. Miroslav Kohout. The source files, modules for several visualization programs and manuals can be downloaded free of charge.

DGrid calculates various functions (derived from the wave function data obtained from TAPE21), for instance electron density, one-electron potential, Electron Localizability Indicator (ELI), Electron Localization Function (ELF), conditional pair density, etc. on an equidistant grid.

The fields can be searched for critical points and molecular graphs constructed. Basins can be determined and evaluated almost for all the computed functions.

Visualization is possible with external programs.

An earlier news item mentions the Basin program. It has now been integrated into DGrid.