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now read_conf_from_file reads configuration for the xml output file. 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12784 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
pietrodelugas 2016-08-18 13:41:08 +00:00
parent 27787dc887
commit 99914bc7af
2 changed files with 26 additions and 1 deletions
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25
PW/src/read_conf_from_file.f90
View File

@ -17,6 +17,11 @@ FUNCTION read_config_from_file(nat, at_old,omega_old, lmovecell, at, bg, omega,
! USE cellmd, ONLY : at_old, omega_old, lmovecell
USE io_files, ONLY : tmp_dir, prefix
USE pw_restart, ONLY : pw_readfile
#ifdef __XSD
USE pw_restart, ONLY : pw_readschema_file, init_vars_from_schema
USE qes_types_module, ONLY : output_type, input_type, parallel_info_type, general_info_type
USE qes_libs_module, ONLY : qes_reset_output, qes_reset_input, qes_reset_general_info, qes_reset_parallel_info
#endif
!
IMPLICIT NONE
!
@ -26,6 +31,13 @@ FUNCTION read_config_from_file(nat, at_old,omega_old, lmovecell, at, bg, omega,
REAL(DP),INTENT(inout) :: at(3,3), bg(3,3), omega
REAL(DP),INTENT(inout) :: tau(3,nat)
INTEGER :: ierr
#ifdef __XSD
TYPE ( output_type), ALLOCATABLE :: output_obj
TYPE ( input_type ), ALLOCATABLE :: input_obj
TYPE (parallel_info_type),ALLOCATABLE :: parinfo_obj
TYPE (general_info_type ),ALLOCATABLE :: geninfo_obj
#endif
!
!
WRITE( stdout, '(/5X,"Atomic positions and unit cell read from directory:", &
@ -33,7 +45,20 @@ FUNCTION read_config_from_file(nat, at_old,omega_old, lmovecell, at, bg, omega,
!
! ... check if restart file is present, if yes read config parameters
!
#ifdef __XSD
ALLOCATE (output_obj, input_obj, parinfo_obj, geninfo_obj)
CALL pw_readschema_file ( ierr, output_obj, input_obj, parinfo_obj, geninfo_obj)
IF (ierr == 0 ) THEN
CALL init_vars_from_schema ( 'config', ierr, output_obj, input_obj, parinfo_obj, geninfo_obj )
CALL qes_reset_output(output_obj)
CALL qes_reset_input (input_obj)
CALL qes_reset_parallel_info (parinfo_obj)
CALL qes_reset_general_info (geninfo_obj)
END IF
DEALLOCATE ( output_obj, input_obj, parinfo_obj, geninfo_obj )
#else
CALL pw_readfile( 'config', ierr )
#endif
!
IF ( ierr > 0 ) THEN
!

2
PW/src/read_file.f90
View File

@ -199,7 +199,7 @@ SUBROUTINE read_xml_file_internal(withbs)
! ... first we get the version of the qexml file
! if not already read
CALL init_vars_from_schema ( 'header', ierr, output_obj, input_obj, parinfo_obj, geninfo_obj )
CALL errore( 'read_xml_file ', 'unable to determine qexml version', ABS(ierr) )
CALL errore( 'read_xml_file ', 'unable to determine determine schema version', ABS(ierr) )
#else
! ... first we get the version of the qexml file
! if not already read