Commit 4e99df4e authored by marsamos's avatar marsamos

small modif to read_xml_cards , Simone Ziraldo


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/[email protected] c92efa57-630b-4861-b058-cf58834340f0
parent e3e46660
......@@ -345,7 +345,7 @@ CONTAINS
! !
! 3) type is matrix, inside there will be: !
! !
! <matrix unit="unit" alat="alat"> !
! <matrix units="units" alat="alat"> !
! <real rank="2" n1="3" n2="3"> !
! HT(1,1) HT(1,2) HT(1,3) !
! HT(2,1) HT(2,2) HT(2,3) !
......@@ -358,7 +358,7 @@ CONTAINS
! HT(i,j) (real) cell dimensions ( in a.u. ), !
! note the relation with lattice vectors: !
! HT(1,:) = A1, HT(2,:) = A2, HT(3,:) = A3 !
! unit can be bohr (default) or alat (in this case you !
! units can be bohr (default) or alat (in this case you !
! have to specify alat) !
! !
!_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_-_!
......@@ -526,7 +526,13 @@ CONTAINS
! !
! <atomic_species ntyp="ntyp"> !
! !
! <specie name="label(i)" mass="mass(i)"> !
! <specie name="label(i)"> !
! !
! <property name="mass"> !
! <real> !
! mass(i) !
! </real> !
! </property> !
! !
! <property name="pseudofile"> !
! <string> !
......@@ -653,10 +659,6 @@ CONTAINS
IF ( ierr /= 0 ) CALL errore( 'card_xml_atomic_species', 'error &
&reading name attribute of specie node', abs( ierr ) )
!
CALL iotk_scan_attr( attr2, 'mass', atom_mass( is ), ierr = ierr)
IF ( ierr /= 0 ) CALL errore( 'card_xml_atomic_species', 'error &
&reading name attribute of specie node', abs( ierr ) )
!
psfile_found = .false.
!
DO
......@@ -736,6 +738,9 @@ CONTAINS
SELECT CASE ( trim(prop_name) )
!
CASE ( 'mass' )
CALL iotk_scan_dat_inside( xmlinputunit, atom_mass(is) , ierr = ierr)
!
CASE ( 'pseudofile' )
CALL iotk_scan_dat_inside( xmlinputunit, psfile, ierr = ierr)
psfile = clean_str( psfile )
......
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