MORGUE, a neutron powder diffraction profile refinement program with control-file facility to include structural and rigid-body thermal-motion constraints

A neutron powder profile refinement program, MORGUE, has been written to facilitate the (possible) inclusion of both structural and rigid-body thermal-motion constraints. MORGUE results from major code modification to the program EDINP [Pawley (1980). J. Appl. Cryst. 13, 630-633] to allow the introduction of constraint conditions from an input parameter file in most practical situations. This replaces the previous need to write constraint-specific sub-routines for each structural and thermal-motion model refined, with the consequent repeated requirement for some recompilation and linkage of the modular parts to form the new executable program. The code is written in (VAX/VMS) Fortran77 and the program has been run on a VAX 11/750 computer. Examples of its use are included.