allocate_green Subroutine
- Jonathan Chico
-
- profiling, profiling, KKRhost
- 132 statements
- Source File
public subroutine allocate_green(flag, naez, iemxd, ngshd, nsheld, lmpot, nofgijd, ish, jsh, kmesh, imaxsh, iqcalc, iofgij, jofgij, ijtabsh, ijtabsym, ijtabcalc, ijtabcalc_i, ilm_map, gsh)
Uses
Subroutine handling the allocation/deallocation of arrays handling the Green functions
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | flag | |||
| integer, | intent(in) | :: | naez |
number of atoms in unit cell |
||
| integer, | intent(in) | :: | iemxd | |||
| integer, | intent(in) | :: | ngshd | |||
| integer, | intent(in) | :: | nsheld | |||
| integer, | intent(in) | :: | lmpot | |||
| integer, | intent(in) | :: | nofgijd | |||
| integer, | intent(inout), | dimension (:,:), allocatable | :: | ish | ||
| integer, | intent(inout), | dimension (:,:), allocatable | :: | jsh | ||
| integer, | intent(inout), | dimension (:), allocatable | :: | kmesh | ||
| integer, | intent(inout), | dimension (:), allocatable | :: | imaxsh | ||
| integer, | intent(inout), | dimension (:), allocatable | :: | iqcalc | ||
| integer, | intent(inout), | dimension (:), allocatable | :: | iofgij |
Linear pointers, similar to NSH1/NSH2 but giving the actual index of sites I,J = 1,NATOMIMP in the cluster |
|
| integer, | intent(inout), | dimension (:), allocatable | :: | jofgij |
Linear pointers, similar to NSH1/NSH2 but giving the actual index of sites I,J = 1,NATOMIMP in the cluster |
|
| integer, | intent(inout), | dimension (:), allocatable | :: | ijtabsh |
Linear pointer, assigns pair (i,j) to a shell in the array GS(,,*,NSHELD) |
|
| integer, | intent(inout), | dimension (:), allocatable | :: | ijtabsym |
Linear pointer, assigns pair (i,j) to the rotation bringing GS into Gij |
|
| integer, | intent(inout), | dimension (:), allocatable | :: | ijtabcalc |
Linear pointer,specifying whether the block (i,j) has to be calculated needs set up for ICC=-1, not used for ICC=1 |
|
| integer, | intent(inout), | dimension (:), allocatable | :: | ijtabcalc_i | ||
| integer, | intent(inout), | dimension (:,:), allocatable | :: | ilm_map | ||
| real(kind=dp), | intent(inout), | dimension (:), allocatable | :: | gsh |