Changes for version 0.01 - 2015-04-12
- better examples and documentation
Changes for version 0.00_6 - 2014-05-02
- update pod. dependencies
Changes for version 0.00_5 - 2014-04-30
- Factored out large part into HackaMol::X::Extension for reuse
- Consumes HackaMol::X::Extension
- build_command is now required by HackaMol::X::ExtensionRole
Changes for version 0.00_4 - 2014-04-30
- several new examples showing separation of input, running, output phases
- added examples for processing gaussian output from simple to not so simple
Changes for version 0.00_3 - 2014-04-28
- improved tests, adjusted synopsis
Changes for version 0.00_2 - 2014-04-27
- added examples, improved tests.
Changes for version 0.00_01 - 2013-09-18
- First Devel release
Modules
Abstract calculator class for HackaMol
Examples
- examples/dftb3/PrepXyzACS.pl
- examples/dftb3/dftb3.pl
- examples/dftb3/dftb3_in.pl
- examples/dftb3/dftb3_out.pl
- examples/dftb3/dftb3_run.pl
- examples/g09/g09_in_ss-scan.pl
- examples/g09/g09_in_ss-set.pl
- examples/g09/g09_out_pdb.pl
- examples/g09/g09_out_scfdone.pl
- examples/g09/g09_out_xyz.pl
- examples/g09/xyzs/cs-hg-sc.xyz
- examples/g09/xyzs/cssc.xyz