Next: , Previous: Emap, Up: CONGEN Support

29.1.9 PDM88 — Potential Derived Multipole Program

PDM88 is a program written by Donald E. Williams which is used in the calculation of charges. See Gaussian Command, for bibliographic references and for complete information on the interface from CONGEN to this program.

This version of the program is very similar to the program published in QCPE. It has been modified to detect I/O errors so that it will fail cleanly if the Gaussian job fails.