Working gradient for PBC
authorAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Mon, 24 Feb 2014 19:23:03 +0000 (20:23 +0100)
committerAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Mon, 24 Feb 2014 19:23:03 +0000 (20:23 +0100)
commitfaea29f012ec8e63652b824ecdd37305fdf75ed8
treea9595dfa8bc7c45b41a81f1dcf178a3ff0389fb4
parent94763f6dd92c61677ab8918c9caf9f9ffd608112
Working gradient for PBC
source/unres/src_MD-M/energy_p_new_barrier.F
source/unres/src_MD-M/intcartderiv.F