PRINT

Controls the printing properties during an MD run [Edit on GitHub]

Subsections

• CENTER_OF_MASS
• COEFFICIENTS
• ENERGY
• PROGRAM_RUN_INFO
• ROTATIONAL_INFO
• SHELL_ENERGY
• TEMP_KIND
• TEMP_SHELL_KIND

Keywords

• FORCE_LAST

Keyword descriptions

FORCE_LAST: logical = F

Lone keyword: T

Usage: FORCE_LAST LOGICAL

Print the output and restart file if walltime is reached or if an external EXIT command is given. It still requires the keyword LAST to be present for the specific print key (in case the last step should not match with the print_key iteration number). [Edit on GitHub]