Cepos Mopac 6  
 

Download Cepos Mopac 6

Cepos Mopac 6 is provided free of charge and with complete source. Please read the "Downloading Cepos Mopac 6 (Revision18)" information opposite.

Manuals for Mopac 6

Cepos Mopac 6 user manual is already included in CeposMopac6-Revision18.zip but is also available as a separate download in pdf format. The original public domain Mopac 6 can be accessed from an external site using the link below.

About Mopac 6

Cepos Mopac 6 is a modified version of the public-domain Mopac 6 (QCPE 455) that writes the files necessary to run ParaSurf™.

Cepos Mopac 6 serves as a freeware alternative to commercial semiempirical molecular orbital packages for ParaSurf™ users. The program is adequate for MNDO, AM1 and PM3 calculations. However, it does not include many modern options and Hamiltonians (in particular, it does not include methods that use d-orbitals). We recommend that the EF geometry optimizer always be used as the default. BFGS optimizer often exits at high values of the gradient norm.

Downloading Cepos Mopac 6 (Revision 18)

CeposMopac6-Revision18.zip contains the following:
CeposMopac6_exe
CeposMopac6_source
Example_files
CeposMopac6 User Manual (pdf)

CeposMopac6_exe contains three executables for 32-bit Windows systems, Linux systems and Silicon Graphics Irix. The files need only be copied on to your hard drive and the directory in which they reside added to the paths.

CeposMopac6_source contains the Mopac Fortran source files and makefiles for Windows, the GNU g77 compiler under Linux and for the f90 compiler under Irix. Note: This archive is only necessary if you wish to install Mopac 6 on a system other than those given above or if you wish to modify the code. Changes made by us are commented using the tag Cepos.

Example_files. These files are useful for checking your results. Contains two archives: Windows_examples and Linux_examples for Unix-based systems such as Linux and Irix. They contain the input examples given in the Mopac 6 manual and the output calculated using Cepos Mopac 6.