atomes 1.1.14
atomes: an atomic scale modeling tool box
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Files | |
dlp_active.c | |
Functions to retrieve data in the force field structure. | |
dlp_atom.c | |
Functions to handle atom selection(s) when creating a force field Functions to remove / add field atom from a force field. | |
dlp_comp.c | |
Functions to compare and adjust field body parameters. | |
dlp_control.c | |
Functions to handle the creation of the DL-POLY CONTROL file. | |
dlp_copy.c | |
Functions to copy force field and related data structures. | |
dlp_edit.c | |
Functions to edit DL-POLY force field parameters. | |
dlp_ff_match.c | |
Functions the list the available database parameters for the atom database window. | |
dlp_field.c | |
Functions to prepare the DL-POLY / LAMMPS input preparation assistant Functions to design a classical force field. | |
dlp_field.h | |
Variable declarations for the creation of the DL_POLY input file(s) | |
dlp_init.c | |
Functions to initialize the creation of a classical force field. | |
dlp_mol.c | |
Functions to add / remove molecule(s) to / from the force field. | |
dlp_print.c | |
Functions to handle the output of the DL-POLY FIELD file Functions to handle the output of the DL-POLY CONTROL file Functions to handle the output of the DL-POLY CONFIG file Functions to fill the structural element(s) tree models in the assistant. | |
dlp_viz.c | |
functions to handle the visualization events when creating a classical force field | |