run_mopac71
Invoke mopac7 program
Usage
run_mopac7 name
Overview
MOPAC provides routines to solve the electronic structure of molecules on a semi-empirical level. Available methods include MNDO, MINDO/3, AM1 and PM3.
run_mopac7 will read input from name.dat and write output to name.out, also write restart file to name.res, density matrix to name.den, logfile to name.log and archive/summary file to name.arc.
Releases
9 releases since Debian 5.0 (Lenny); the text changed 1 time.