
PRINTΒΆ
Setting this to a value greater than 1 will cause the * underlying modules [e.g. energy(‘scf’)] to print all of * their contents to file. For large systems, N, and large * truncation order, n, this is a large amount of text * (equivalent to pasting NC1+ NC2+ NC3+...NCn * Psi4 outputs together, where aCb is “a choose b”). Only * enable it if you are debugging, or really want all that data. * LibFrag will report key properties, such as energy, for * you, by fragment, dimer, etc. / options.add_int(“PRINT”, 1); } if (name == “EFP”|| options.read_globals()) { /- MODULEDESCRIPTION Performs effective fragment potential computations through calls to Kaliman’s libefp library.
- Type: integer
- Default: 1