adjust setup to changes made in the fix chem/shrink/core implementation in LIGGGHTS (cf. commit abe32ee)
Keq W-> Fe
Keq_ = exp(2744.63/T-2.946);
M-> W
Keq_ = exp(-3585.64/T+4.58);
H-> M
Keq_ = exp(3968.37/T+3.94);
adjust setup to changes made in the fix chem/shrink/core implementation in LIGGGHTS (cf. commit abe32ee)
Keq W-> Fe
Keq_ = exp(2744.63/T-2.946);
M-> W
Keq_ = exp(-3585.64/T+4.58);
H-> M
Keq_ = exp(3968.37/T+3.94);