#Author: Yanqing Su
#Description: These files are for the calculation of twin embryo interactions 
              when considering their thickness t, spacing s, and the neighboring 
              grain effect by adjusting the Euler angles, ph, th, om
#Date:   06/22/2020
###################################################################################

Mgel.sx:                      Elastic tensor for pure Mg at room temperature

Mgpl.sx:                      The plasticity system for pure Mg at room temperature

Tricrystals.f90:              The main code for calculating the stress distritubtion in metals after introduding twins via CPFFT method

fft.in:                       The input file for "Tricrystals.f90". It describes the slip systems, stress state, size, etc., 
                              in a calculation. Detailed information can be found in the comment lines in this file

construct_embryo_single.py:   Python script to generate the initial single twin embryo geometry for "Tricrystals.f90"

construct_TwoParaEmbryos.py:  Python script to generate the initial two twin embryos geometry for "Tricrystals.f90"

sbuild_c3.sh:                 Shell script to prepare a new folder and files for a single twin embryo case study

build_c3_6.sh:                Shell script to prepare a new folder and files for two twin embryo case study

compute.pbs:                  a pbs job that is about to be submitted

run_all.sh:                   a shell script that can automatically submit all the cases within a folder


Example: a signle twin embryo study
1, Download all the files into a new working folder
2, sh sbuild_c3.sh           # please change the path of the directory "DATA_DIR" accordingly
3, cd to the data folder "DATA_DIR" in "sbuild_c3.sh"
4, ./run_all.sh