6.2.4. Command-line Interface Examples

Print project data to the console

forte.sh CLI -project myProject.ftsim --print

Export project data to text file

forte.sh CLI -project myProject.ftsim -export project_data.txt

Import project data from a text file and save the project

forte.sh CLI -project myProject.ftsim -import project_data.txt --save

Import project data from a text file, save the project under a new name

forte.sh CLI -project myProject.ftsim -import project_data.txt --save -save_as NewProject.ftsim

Load a replay file with an existing project, save the result

forte.sh CLI -project myProject.ftsim -replay replay.ftrpl --save

Load a project, load a replay file, load project data from a text file, prepare a parameter study run for execution, specify restart parameters

forte.sh CLI -project myProject.ftsim -replay replay.ftrpl -import project_data.txt --prepare -mpi_args 4 -run “Run_002” -restart_file "/absolute/path/to/restart.ftrst" -restart_results forte_soln.ftind