Question about mdFoam

lrlrwu · January 29, 2013, 21:38

Hi,
I`m reading the MD code of OpenFOAM. I saw it create 4 Lists(ril_, rwfil_, dil_ and dwfil_) to store the connecting information about cell-cell or cell-other processors` cell. dil_[d][f] stores the local adjacent cellIDs(cellID of f is bigger than cellID d) of cellID=d. ril_ stores the local cells which share the boundary faces with neighbour processors`. Also, I see that dwfil_ and rwfil_ store the cells of wall faces for real cells or referred cells, but I dont konw why? Who can help me? Thank you very much.

Erik · February 2, 2013, 01:27

Hello,

I have used the previous mdFoam a bit in the past but not studied this issue. I think the reason for keeping this data could be to keep track of nearby molecules, which have a potential field affecting the current molecule, but being outside the current molecule´s cell. Only cells which are inside the R-cut are considered for this though, I assume. This way computational speed is gained.

Cheers,
Erik

January 29, 2013, 21:38	Question about mdFoam	#1
lrlrwu New Member David Join Date: Jan 2013 Posts: 1 Rep Power: 0	Hi, I`m reading the MD code of OpenFOAM. I saw it create 4 Lists(ril_, rwfil_, dil_ and dwfil_) to store the connecting information about cell-cell or cell-other processors` cell. dil_[d][f] stores the local adjacent cellIDs(cellID of f is bigger than cellID d) of cellID=d. ril_ stores the local cells which share the boundary faces with neighbour processors`. Also, I see that dwfil_ and rwfil_ store the cells of wall faces for real cells or referred cells, but I dont konw why? Who can help me? Thank you very much.

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February 2, 2013, 01:27		#2
Erik Member Erik Arlemark Join Date: Mar 2009 Location: Eindhoven, Netherlands Posts: 47 Rep Power: 17	Hello, I have used the previous mdFoam a bit in the past but not studied this issue. I think the reason for keeping this data could be to keep track of nearby molecules, which have a potential field affecting the current molecule, but being outside the current molecule´s cell. Only cells which are inside the R-cut are considered for this though, I assume. This way computational speed is gained. Cheers, Erik