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Both sides previous revision Previous revision Next revision | Previous revision | ||
organization_structure_of_the_grid [2010/01/20 14:23] jelen |
organization_structure_of_the_grid [2011/02/18 13:13] (current) |
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- | {{:fireball:grid:structure_grid.png|}} | + | =====General Overview===== |
+ | {{:fireball:grid:stucuture_grid_v1.png|}} | ||
+ | |||
+ | =====SCF chart flow===== | ||
+ | {{:fireball:grid:scf_loop_v1.png|}} | ||
+ | |||
+ | =====List of files===== | ||
**List of files related/modified to the Kohn-Sham module:** | **List of files related/modified to the Kohn-Sham module:** | ||
(M) stands for a modified file | (M) stands for a modified file | ||
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diag_k_KS.f90 | diag_k_KS.f90 | ||
kspace_KS.f90 | kspace_KS.f90 | ||
+ | |||
+ | LOOPS/ | ||
+ | scf_loops_ks.f90 | ||
DASSEMBLERS/ | DASSEMBLERS/ | ||
getforces_KS.f90 (not yet) | getforces_KS.f90 (not yet) | ||