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Free CNDO/INDO program
This program was very seminal in the early days of computational chemistry and is probably a good starting point for people who might be interested in becoming involved in the field. The input is fairly simple and is described in the COMMENT cards of the source code. Sample input and output also accompany this program. It is an easy place to start. While the CNDO and INDO approximations may not be especially sophisticated by today's standards they are not misleading as regards chemistry. There is a lot of chemistry contained in these approximations and many people can gain useful insights into experimental work in which they may be involved. Any interested party can download the complete program by doing the following from the account in which you now find yourself. The file which you want to download is "cndo.tar.Z". This is a compressed tar file and must be downloaded in BINARY mode. Upon downloading this file must first be uncompressed using the unix "uncompress" command as follows:
This action will yield the file "cndo.tar" which must be untar-ed as follows:
When this has completed you will have restored the original file structure and all files will be found in the directory "qcp141". You will need to compile the source file which is named "cndo.f". The best way to handle input and output with this system is to stream it through as follows:
To compile this program on an RS/6000 the following was given on the command line:
This compilation did produce several warning messages but the compilation was successful and ran well. Richard W. Counts QCPE |