corrections to numerical and sccor analytical gradient
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Wed, 22 Feb 2017 08:32:24 +0000 (09:32 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Wed, 22 Feb 2017 08:32:24 +0000 (09:32 +0100)
commitbdca888f15f307eb56c89e9dfedd2d92f017a504
tree4637170c93a99f80f9088110cb440331f1b7fdb1
parente891928d270dd3ca62896b5cd7ee6dd8f6e1109d
corrections to numerical and sccor analytical gradient
source/unres/src_MD-M/checkder_p.F
source/unres/src_MD-M/energy_p_new_barrier.F
source/unres/src_MD-M/int_to_cart.f
source/unres/src_MD-M/intcartderiv.F
source/unres/src_MD/checkder_p.F
source/unres/src_MD/int_to_cart.f
source/unres/src_MD/intcartderiv.F