Added elastic constant example at finite temperature

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14102 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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athomps 2015-10-05 18:52:13 +00:00
parent 8a024fa64b
commit a1149efbfa
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@ -146,6 +146,9 @@ variable C56all equal 0.5*(${C56}+${C65})
variable C11cubic equal (${C11all}+${C22all}+${C33all})/3.0
variable C12cubic equal (${C12all}+${C13all}+${C23all})/3.0
variable C44cubic equal (${C44all}+${C55all}+${C66all})/3.0
# Average moduli for cubic crystals
variable bulkmodulus equal (${C11cubic}+2*${C12cubic})/3.0
variable shearmodulus1 equal ${C44cubic}
variable shearmodulus2 equal (${C11cubic}-${C12cubic})/2.0