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)
commita1953980c122f82fd806f581a2283088396f8bff
tree61f3cc7f7d22522dba1dcc61f29021222688abd3
parent6258e725d4fd8a78b6716e96c62184a8e347bfa2
numerical gradient delta 10e-4
source/unres/src_MD-M/energy_p_new_barrier.F
source/unres/src_MD/checkder_p.F