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Corrected C error in stopicru and other tweeks.

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salman
2009-09-14 13:26:57 +00:00
parent aa61b3eee6
commit 4c8fd5730e
3 changed files with 44 additions and 28 deletions
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2
trimsp/TrimSPGUI/Chem.pm
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@ -541,7 +541,7 @@ sub Stopicru {
"Li", "1.41100,1.60000,725.59998,3013.00000,0.04578",
"Be", "2.24800,2.59000,966.00000,153.80000,0.03475",
"B", "2.47400,2.81500,1206.00000,1060.00000,0.02855",
"C", "0.00000,2.60100,1701.00000,1279.00000,0.01638",
"C", "2.60100,2.60100,1701.00000,1279.00000,0.01638",
"N", "2.95400,3.35000,1683.00000,1900.00000,0.02513",
"O", "2.65200,3.00000,1920.00000,2000.00000,0.02230",
"F", "2.08500,2.35200,2157.00000,2634.00000,0.01816",