write_xyz determines how often (every how many time steps) trajectory information is written to file
trajectory_out.xyz during molecular dynamics. Note that for large systems and/or long MD times saving trajectory information at every time step may lead to exceedingly large files with sizes in the region of several gigabytes and beyond; be mindful not to exceed your computer's storage capacity.
|Required/optional||Type||Accepted values||Default||See also|
|Optional||Integer||Any positive integer, plus zero||0 (write only trajectory information at the beginning and end of the run; equivalent to setting it equal to
write_thermo = 10 # writes out thermodynamic information every 10 time steps write_xyz = 100 # writes out trajectory information every 100 time steps