Commit 3241cf67 authored by juan rodriguez-carvajal's avatar juan rodriguez-carvajal
Browse files

Correcting a bug in CFML_Crystal_Metrics.f90 ... (writing)

parent eddca0d1
Pipeline #11646 passed with stages
in 13 minutes and 21 seconds
......@@ -2253,7 +2253,7 @@
CarType=U_case(adjustl(CarTypeIn))
!> Check for valid input
if(len_trim(CarType) == 2)then !two symbols input
if(CarType /= 'CA' .and. CarType /= 'AB' .and.CarType /= 'BC' .and.CarType /= 'BA' .and.CarType /= 'CB')then
if(CarType /= 'CA' .and. CarType /= 'AC' .and.CarType /= 'BC' .and.CarType /= 'BA' .and.CarType /= 'CB')then
err_crys=.true.
err_crys_mess='Invalid CarType in call to Get_Cryst_Orthog_Matrix. Reset to default'
CarType='CA' !default: c//Z, a*//X
......@@ -2265,13 +2265,13 @@
case('A')
CarType(2:2)='C'
case('B')
CarType(2:2)='C' !defaults to c* // Z for this case
CarType(2:2)='C' !defaults to c* // Z for this case (Carpenter)
case default
CarType='CA' !default because invalid first character
CarType='CA' !default because invalid first character
end select
endif
endif
if(len_trim(CarType) == 0)CarType='CA' !default: c//Z, a*//X
if(len_trim(CarType) == 0) CarType='CA' !default: c//Z, a*//X
!> Setting of matrix
......@@ -2400,7 +2400,7 @@
CarType=U_case(adjustl(CarTypeIn))
!> Check for valid input
if(len_trim(CarType) == 2)then !two symbols input
if(CarType /= 'CA' .and. CarType /= 'AB' .and. CarType /= 'BC' .and. CarType /= 'BA' .and. CarType /= 'CB')then
if(CarType /= 'CA' .and. CarType /= 'AC' .and. CarType /= 'BC' .and. CarType /= 'BA' .and. CarType /= 'CB')then
err_crys=.true.
err_crys_mess='Invalid CarType in call to Get_Deriv_Orth_Cell'
return
......@@ -3627,16 +3627,17 @@
select case(Celda%CartType)
case('BA') ! Angel & Brown setting
Write(unit=iunit,fmt="(/,a,/)") " => Cartesian frame: y // b; z is in the bc-plane; x is y ^ z = a* "
case('BA') ! Angel & Brown setting
Write(unit=iunit,fmt="(/,a,/)") " => Cartesian frame: y // b; z is in the bc-plane; x is y ^ z = a* "
case('BC') ! Carpenter setting
Write(unit=iunit,fmt="(/,a,/)") " => Cartesian frame: y // b; x is in the ab-plane; z is x ^ y = c* "
case('BC') ! Carpenter setting
Write(unit=iunit,fmt="(/,a,/)") " => Cartesian frame: y // b; x is in the ab-plane; z is x ^ y = c* "
case('AC') ! previous alternate setting
Write(unit=iunit,fmt="(/,a,/)") " => Cartesian frame: x // a; z is along c*; y is within the ab-plane "
case('AB') ! previous alternate setting
Write(unit=iunit,fmt="(/,a,/)") " => Cartesian frame: x // a; z is in the ac-plane; y is x ^ z = b* "
case default ! 'CA'
Write(unit=iunit,fmt="(/,a,/)") " => Cartesian frame: z // c; y is in the bc-plane; x is y ^ z = a* "
case default ! 'CA'
Write(unit=iunit,fmt="(/,a,/)") " => Cartesian frame: z // c; y is in the bc-plane; x is along y ^ z = a* "
end select
......
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