From wei@qscat.chem.uh.edu Thu Sep 15 12:33 CDT 1994 Date: Thu, 15 Sep 1994 12:05:02 -0500 From: wei@qscat.chem.uh.edu (wei) To: parker@chris.chem.uh.edu Content-Type: text Content-Length: 908 Dear Dr. Parker, I am enclosing the email for your reference. Wei %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% H4JCP3 FORTRAN --> The H4 PES fortran-77 program, see the comment lines before running it. This file have 4968 lines. H4JCP3 DATA --> A test data set including the first 1000 ab initio points computed by Boothroyd et al. (except for the point number 822, see our JCP paper for more details on it). This file have 1001 lines. H4JCP3 OUTPUT --> The test output corresponding to the test data set. This file have 1002 lines. I would appreciate if you keep me informed as to your progress on H4 and also if you would have problems using our program. Sincerely, Prof. Miguel Paniagua