allocate_cpa Subroutine
- Jonathan Chico
-
- profiling, profiling, coherent-potential-approx, KKRhost
- 55 statements
- Source File
public subroutine allocate_cpa(flag, naez, natyp, noq, icpa, iqat, hostimp, conc)
Subroutine handling the allocation/deallocation of arrays that describe the CPA treatment
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | flag | |||
| integer, | intent(in) | :: | naez |
number of atoms in unit cell |
||
| integer, | intent(in) | :: | natyp |
number of kinds of atoms in unit cell |
||
| integer, | intent(inout), | dimension (:), allocatable | :: | noq |
Number of diff. atom types located |
|
| integer, | intent(inout), | dimension (:), allocatable | :: | icpa |
ICPA = 0/1 site-dependent CPA flag |
|
| integer, | intent(inout), | dimension (:), allocatable | :: | iqat |
the site on which an atom is located on a given site |
|
| integer, | intent(inout), | dimension (:), allocatable | :: | hostimp | ||
| real(kind=dp), | intent(inout), | dimension (:), allocatable | :: | conc |
concentration of a given atom |