The entire DL_POLY_2 package is stored in a Unix directory structure. The topmost directory is named dl_poly_2.nn, where nn is a generation number. Beneath this directory are several sub-directories named: source; utility; data; bench; execute; build; public; respa; java; and sub-directory is as follows:
sub-directory contents source primary subroutines for the DL_POLY_2 package utility subroutines, programs and example data for all utilities data example input and output files for DL_POLY_2 bench large test cases suitable for benchmarking execute the DL_POLY_2 run-time directory build makefiles to assemble and compile DL_POLY_2 programs public directory of routines donated by DL_POLY_2 users java directory of Java and FORTRAN routines for the Java GUI. respa directory of routines used to construct the DL_POLY_2 RESPA program srcmul source of distributed multipole version of DL_POLY_2
A more detailed description of each sub-directory follows.
Subsections