From chemistry-request@ccl.net Wed Dec 4 10:45:31 1991 Date: Wed, 4 Dec 91 07:36:20 PST From: rickr@scripps.edu (Rick Ross-PPG CNR) To: chemistry@ccl.net Status: R Greetings computational chemistry folks, My question of interest at the moment is does anybody know if there are any subroutines generally available to calculate gradients with effective core or pseudopotentials? I will summarize any responses for the net but for now could you please send replies to: rickr@ppg.scripps.edu Thanks in advance for any help. Rick Ross Dr. Richard B. Ross Coatings and Resins Research and Engineering Center phone: (412) 492-5359 PPG Industries FAX: (412) 492-5509 P.O. Box 9 E-mail: rickr@ppg.scripps.edu Allison Park, PA 15101