thermo.dpdrx.new
3c2bebd4ac44lammm-master-deprecated

thermo.dpdrx.new
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			# rx heats of formation for various molecules
			# multiple entries can be added to this file, LAMMPS reads the ones it needs
			# the entries are in LAMMPS "metal" units (eV)
			# Be sure the units are consistent with your input file

			# format of a single entry (one or more lines):
			# species DeltaHformation

			rdx 1.989907438211819
			hcn 1.400635733970104
			no2 0.343004076201018
			no 0.935781955892458
			h2o -2.506184777415379
			n2 0.000000000000000
			h2 0.000000000000000
			co -1.145533746031845
			co2 -4.078501848437456