MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code

Published: 13 June 2016| Version 1 | DOI: 10.17632/6w75ct75cb.1
Andrew Duff


MEAMfit v1.02. Changes: various bug fixes; speed of single-shot energy and force calculations (not optimization) increased by x10; elements up to Cn (Z=112) now correctly read from vasprun.xml files; EAM fits now produce Camelion output files; changed max number of vasprun.xml files to 10,000 (an unnecessary lower limit of 10 was allowed in the previous version). The original version of this program (AEWY_v1_0) may be found at