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Diffstat (limited to 'academic/mopac7/README')
| -rw-r--r-- | academic/mopac7/README | 9 |
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diff --git a/academic/mopac7/README b/academic/mopac7/README new file mode 100644 index 0000000000..ac2cf183e9 --- /dev/null +++ b/academic/mopac7/README @@ -0,0 +1,9 @@ +MOPAC provides routines to solve the electronic structure of molecules +on a semi-empirical level. Available methods include MNDO, MINDO/3, +AM1 and PM3. + +Tis package contains MOPAC7 libraries to add semi-empirical +functionality to ghemical and possibly to other computational +chemistry apps. + +For modern MOPAC executables look at http://openmopac.net |