sriniker 7943b8c79d Improved planarity for ETKDG (#967) ...

* enforce planarity

* increase the force constant for the impropers

* force constant adapted

* reduced tolerance for planarity and force constants changed for some torsions

* tolerance for planarity increased a bit again

* cerr outputs removed

* planarity tolerance increased

* boost log added in planarity check

2016-06-29 05:00:30 +02:00

17 KiB

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