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!! @author Charles F. Vardeman II |
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!! @author Matthew Meineke |
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< |
!! @version $Id: doForces.F90,v 1.54 2005-10-12 18:59:16 chuckv Exp $, $Date: 2005-10-12 18:59:16 $, $Name: not supported by cvs2svn $, $Revision: 1.54 $ |
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!! @version $Id: doForces.F90,v 1.55 2005-10-12 19:55:26 chuckv Exp $, $Date: 2005-10-12 19:55:26 $, $Name: not supported by cvs2svn $, $Revision: 1.55 $ |
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module doForces |
| 1088 |
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| 1089 |
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if (do_pot) then |
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! scatter/gather pot_row into the members of my column |
| 1091 |
< |
call scatter(pot_Row, pot_Temp, plan_atom_row) |
| 1092 |
< |
|
| 1091 |
> |
do i = 1,POT_ARRAY_SIZE |
| 1092 |
> |
call scatter(pot_Row(i,:), pot_Temp(i,:), plan_atom_row) |
| 1093 |
> |
end do |
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! scatter/gather pot_local into all other procs |
| 1095 |
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! add resultant to get total pot |
| 1096 |
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do i = 1, nlocal |
| 1097 |
< |
pot_local = pot_local + pot_Temp(i) |
| 1097 |
> |
pot_local(1:POT_ARRAY_SIZE) = pot_local(1:POT_ARRAY_SIZE & |
| 1098 |
> |
+ pot_Temp(1:POT_ARRAY_SIZE,i) |
| 1099 |
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enddo |
| 1100 |
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| 1101 |
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pot_Temp = 0.0_DP |
| 1102 |
< |
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| 1103 |
< |
call scatter(pot_Col, pot_Temp, plan_atom_col) |
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> |
do i = 1,POT_ARRAY_SIZE |
| 1103 |
> |
call scatter(pot_Col(i,:), pot_Temp(i,:), plan_atom_col) |
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> |
end do |
| 1105 |
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do i = 1, nlocal |
| 1106 |
< |
pot_local = pot_local + pot_Temp(i) |
| 1106 |
> |
pot_local(1:POT_ARRAY_SIZE) = pot_local(1:POT_ARRAY_SIZE)& |
| 1107 |
> |
+ pot_Temp(1:POT_ARRAY_SIZE,i) |
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enddo |
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endif |
