Write thermo

write_thermo determines how often (every how many time steps) thermodynamic information is written to file thermo.log during molecular dynamics.

Summary

Summary for write_thermo keyword

Required/optional	Type	Accepted values	Default	See also
Optional	Integer	Any positive integer	1	writeouts, write_xyz

Example

write_thermo = 10 # writes out thermodynamic information every 10 time steps
write_xyz = 100 # writes out trajectory information every 100 time steps