qmmm
runner

History Graph

Commit	Author	Details	Committed
2f8acde01773	Axel Kohlmeyer	remove unsupported files	Oct 11 2013
cddfed139657	Axel Kohlmeyer	input file cleanup	Oct 11 2013
1f79cdb91370	Axel Kohlmeyer	include EXTRAMAKE definition	Oct 11 2013
e3d406a7d6b8	Axel Kohlmeyer	integrate QM/MM toplevel code into the distribution	Oct 11 2013
494f11d42a07	Axel Kohlmeyer	import QM/MM example input for mechanical coupling	Oct 11 2013
0aad8f682d46	Axel Kohlmeyer	fix bug in parser for verbose flag	Oct 11 2013
5373ea31f114	Axel Kohlmeyer	add verbose flag	Oct 10 2013
c787e982704f	Axel Kohlmeyer	include output of working directories and properly export the write API	Oct 10 2013
4d8913a6f7ac	Axel Kohlmeyer	add API for writing out the configuration and handle overwriting flags cleanly	Oct 10 2013
c1b6c3528a6d	Axel Kohlmeyer	add comments to qm/mm library	Oct 6 2013
2c726d2de9b1	Axel Kohlmeyer	put global qm/mm configuration variable into library	Oct 2 2013
4a29c877f44a	Axel Kohlmeyer	add qmmm library support	Oct 2 2013