CHELPG program available



Thanks to Curt Breneman from Rensselaer Polytechnic Institute (e-mail:
 breneman "at@at" quant.chem.rpi.edu) and Kenneth Butehof from Case Western
 Reserve
 University (e-mail: kxb3 "at@at" po.cwru.edu) we have another addition to our
 archives: CHELPG program to fit atomic net charges to electrostatic potential
 from ab initio calculations. You need Gaussian 90 utility library to be
 able to obtain executable version, since the program reads in a checkpoint
 file from Gaussian90. The files are:
 chelpgunix.f  -  the original UNIX version of the CHELPG program from Curt
 chelpgcray.f  -  the CRAY version of CHELPG program (not yet vectorized)
                  submitted by Ken
 chelpgcray.doc - a short doc explaining the format of input file for CHELPG
                  written by Ken
 You can get it through anonymous ftp as:
 %ftp www.ccl.net   (or ftp 128.146.36.48)
 Login: anonymous
 Password: your_email_address
 ftp> ascii
 ftp> cd pub/chemistry/chelpg
 ftp> get chelpgunix.f
 ftp> get chelpgcray.f
 ftp> get chelpgcray.doc
 If you do not have ftp, you can still get the program by sending e-mail
 message to OSCPOST "at@at" osc.edy or OSCPOST "at@at" OHSTPY.BITENT containing
 lines:
   send chelpg/chelpgunix.f from chemistry
   send chelpg/chelpgcray.f from chemistry
   send chelpg/chelpgcray.doc from chemistry
 Jan
 Jan Labanowski
 jkl "at@at" ccl.net
 JKL "at@at" OHSTPY.BITNET