numerical gradient delta 10e-4
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Wed, 22 Feb 2017 04:43:56 +0000 (05:43 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Wed, 22 Feb 2017 04:43:56 +0000 (05:43 +0100)
commit53a17fa4587252a39b479d21a6062bfdbe5ccb81
treed212a27ccd6a7f6947ae90a9346ed987f67a4db5
parent6f0e7ef07e02a56fff97df63bd7f07d4b6fb50ce
numerical gradient delta 10e-4
source/unres/src_MD-M/energy_p_new_barrier.F
source/unres/src_MD/checkder_p.F