Convert a nested Python dictionary back to a CP2K input file: fromcp2k_input_tools.generatorimportCP2KInputGeneratorgenerator=CP2KInputGenerator()tree={"global": {}}# ... the input treewithopen("project.inp","w")asfhandle:forlineingenerator.line_iter(tree):fhandle.write(f"{line}\n") ...
CP2K| Input file name nvt.inp GLOBAL| Force Environment number