mapp4py

MIT Atomistic Parallel Package

Functions

import_fs(fs_file)

Tabulated Finnis-Sinclair EAM

import_funcfl(funcfl_files)

Importing FuncFL file/s

import_setfl(setfl_file)

Tabulated EAM force field given by a single SetFL file

pause_slave_out()

Pauses stdout & stderr of non-root processes

resume_slave_out()

Resumes stdout & stderr of non-root processes

Classes

ls

line search

ls_brent

Brent line search

ls_bt

Back track line search

ls_golden

Golden section line search