Hello Ray,
Thanks a lot for your kind reply recently. Now I am simulating shock on explosive molecules with ReaxFF and hope to calculate the hugoniot curve. I want to use fix nphug to compress the system to a series of pressure, for example, 10GPa, 20GPa, 30GPa… Then for each pressure, there will be a specific volume. Then I will get hugoniot curve of the reactive system. Do you think it is reasonable? Thanks for reply.
Guangyu Wang
Although your approach sounds reasonable, I have enjoyed using “fix msst” more in the past for Hugoniots.
Ray