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zh1987hs(½ð±Ò+2):лл 2011-01-06 22:49:32
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ldf831206

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Originally posted by ldf831206 at 2011-01-05 09:18:22:
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Life, Love, Laugh.
95Â¥2011-01-05 11:11:37
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96Â¥2011-01-05 20:33:08
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Originally posted by qphll at 2010-11-03 14:13:26:
ÔÚÓÃMuSiC²âÊÔÌåϵ: CO2+CuBTCµÄʱºò, ·¢ÏÖÁËÁ½¸öÎÊÌâ:
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root@zyj-laptop:~/Desktop/CUBTC/emap#  molecule.F90 :  637 WARNING: probe is not charge neutral (1.00)
ewald.F90:   187 WARNING: nkmax is hard coded to 50000
Total number of K vectors calculated:          366
Total number of atoms used for K vec:          624
Creating grid for CuBTC_M4-probe map interaction
All coordinates generated!
pairmodel.F90:         1916
potential parameters for ewald map will not be stored
pairmodel.F90:         1916
potential parameters for ewald map will not be stored
pairmodel.F90:         1916
potential parameters for ewald map will not be stored
pairmodel.F90:         1916
potential parameters for ewald map will not be stored
pairmodel.F90:         1916
potential parameters for ewald map will not be stored
pairmodel.F90:         1916
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Originally posted by zyj8119 at 2011-01-10 21:11:59:

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