sriniker a14f853e56 Version 2 of ETKDG (#1597) ...

* version 2 of ETKDG

* setting default and changing to unsigned int

* ETversion 2 only via EmbedParams available

* Some refactoring so that the DG functions that take the parameter object are the primaries.
This should allow new parameters to be added without having to modify the API

* test and wrapper changes to go along with that

* update cookbook to use etkdg

2017-11-15 06:50:39 +01:00

..

CrystalFF

Version 2 of ETKDG (#1597)

2017-11-15 06:50:39 +01:00

MMFF

another clang-format run

2017-10-12 06:42:15 +02:00

UFF

another pass of clang modernize

2017-10-12 06:35:51 +02:00

Wrap

a number of other small changes from manually reviewing the PR

2017-04-22 17:24:57 +02:00

CMakeLists.txt

ETKDG implementation

2015-10-20 13:51:43 +02:00