Input file reference

This chapter gives a complete list of the tags that can be specified in the xml input file, along with the hierarchy of objects. Note that every xml input file must start with the root tag . See the accompanying “help.xml” file in the “doc/help_files” directory to see the recommended input file structure.

Each section of this chapter describes one of the major input classes used in the i-PI initialization. These sections will start with some normal text which describes the function of this class in detail. After this the attributes of the tag will be listed, enclosed within a frame for clarity. Finally, the fields contained within the tag will be listed in alphabetical order, possibly followed by their attributes. Attribute names will be bold and field names both bold and underlined. Other supplementary information will be in small font and italicized.