Overview of AACSD

Atomistic Analyzer for crystal structure and defects (AACSD) is an efficient open source command-line program for the post-analysis of atomic configurations generated by various atomistic simulation codes. It is designed by Mr. Z. R. Liu and Prof. R. F. Zhang at Beihang University.
Functionalities:
The program has implemented the following methods1) the excess potential energy (EPE), 2) the central symmetry parameter (CSP) with modified version, 3) the common neighbor analysis (CNA) with adaptive version, 4) the common neighborhood parameter (CNP), 5) the bond angle analysis (BAA), 6) the neighbor distance analysis (NDA), 7) the orientation imaging map (OIM) , 8) the local crystallographic order (LCO),9) ...etc.
Requirements,
AACSD runs on LINUX, MAC and Windows operating systems. Its compilation needs free or commercial C++ compiler, but the compiled version for each operating system are provided in easy use. It is contributed free of charge for non-commercial users (will be released soon).

Basic syntax of AACSD

The typical command lines of AACSD for each functionality looks like: 

>>AACSD <input> <output> <epe> [Er1 Er2…] 

>>AACSD <input> <output> <cna> [rminc1 rmaxc1 rminc2 rmaxc2…] 

>>AACSD <input> <output> <csp> [CN1 CN2…] 

>>AACSD <input> <output> <cnp> [rc1 rc2…] 

>>AACSD <input> <output> <baa> 

>>AACSD <input> <output> <nda> [pattern1 pattern2...] 

>>AACSD <input> <output> <oim> [cspc] [RD] [rc1 rc2…] 

>>AACSD <input> <output> <lco> [cspc] [RD] [rc1 rc2…]

Theoretical background of AACSD

1) Z. R. Liu and R. F. Zhang. AACSD: Atomistic Analyzer for crystal structure and defects, in preparation.
More details can be found at https://sites.google.com/site/aacsd2016/