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update easy_COSMOSAC#1

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shiangtai wants to merge 1 commit intousnistgov:masterfrom
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update easy_COSMOSAC#1
shiangtai wants to merge 1 commit intousnistgov:masterfrom
shiangtai:master

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@shiangtai
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output temperature, compound names, and composition

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@ibell ibell left a comment

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A couple of little things to resolve, but otherwise looks good!

print(db, method, calc_LNAC(T=300, dbname=db, names=['ETHANOL','METHANOL'], composition = [0.3, 0.7], method=method))
names=['ETHANOL', 'METHANOL']
composition=[0.3, 0.7]
T=300
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This should not be hardcoded

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Sorry, I guess i did too....

composition=[0.3, 0.7]
T=300
print(db, method,names,T,'K',composition, calc_LNAC(T=T, dbname=db, names = names, composition = composition, method=method))
#print(db, method, calc_LNAC(T=300, dbname=db, names=['ETHANOL','METHANOL'], composition = [0.3, 0.7], method=method))
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This line should be removed.

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2 participants