Routine read_ps, used only for conversion, extracted from module upf_mod

(that can thus be reused for more useful pourposes) and renamed.
This commit is contained in:
Paolo Giannozzi 2021-03-03 22:12:24 +01:00
parent 2ffdda2a32
commit 59bf0e41e9
5 changed files with 14 additions and 40 deletions

View File

@ -25,12 +25,12 @@ radial_grids.o \
read_cpmd.o \
read_fhi.o \
read_ncpp.o \
read_ps.o \
read_upf_new.o \
read_upf_v1.o \
read_uspp.o \
splinelib.o \
simpsn.o \
upf.o \
upf_auxtools.o \
upf_const.o \
upf_error.o \

View File

@ -80,6 +80,15 @@ read_ncpp.o : pseudo_types.o
read_ncpp.o : upf_const.o
read_ncpp.o : upf_kinds.o
read_ncpp.o : upf_params.o
read_ps.o : gth.o
read_ps.o : pseudo_types.o
read_ps.o : read_cpmd.o
read_ps.o : read_fhi.o
read_ps.o : read_upf_new.o
read_ps.o : read_upf_v1.o
read_ps.o : read_uspp.o
read_ps.o : upf_auxtools.o
read_ps.o : upf_to_internal.o
read_upf_new.o : pseudo_types.o
read_upf_new.o : upf_kinds.o
read_upf_new.o : upf_utils.o
@ -95,16 +104,6 @@ read_uspp.o : upf_kinds.o
read_uspp.o : upf_params.o
simpsn.o : upf_kinds.o
splinelib.o : upf_kinds.o
upf.o : gth.o
upf.o : pseudo_types.o
upf.o : read_cpmd.o
upf.o : read_fhi.o
upf.o : read_upf_new.o
upf.o : read_upf_v1.o
upf.o : read_uspp.o
upf.o : upf_auxtools.o
upf.o : upf_kinds.o
upf.o : upf_to_internal.o
upf_auxtools.o : pseudo_types.o
upf_auxtools.o : upf_const.o
upf_auxtools.o : upf_io.o
@ -120,7 +119,6 @@ upf_to_internal.o : radial_grids.o
upf_to_internal.o : upf_kinds.o
upfconv.o : casino_pp.o
upfconv.o : pseudo_types.o
upfconv.o : upf.o
upfconv.o : upf_const.o
upfconv.o : upf_utils.o
upfconv.o : write_upf_new.o
@ -133,7 +131,6 @@ uspp.o : upf_spinorb.o
uspp_data.o : upf_kinds.o
virtual_v2.o : pseudo_types.o
virtual_v2.o : splinelib.o
virtual_v2.o : upf.o
virtual_v2.o : upf_io.o
virtual_v2.o : upf_kinds.o
virtual_v2.o : upf_utils.o

View File

@ -1,31 +1,14 @@
! Copyright (C) 2008 Quantum ESPRESSO group
!
! Copyright (C) 2008-2021 Quantum ESPRESSO group
! This file is distributed under the terms of the
! GNU General Public License. See the file `License'
! in the root directory of the present distribution,
! or http://www.gnu.org/copyleft/gpl.txt .
!
!=----------------------------------------------------------------------------=!
MODULE upf_module
!=----------------------------------------------------------------------------=!
!! author: Unknown
!! this module handles reading of unified pseudopotential format (UPF)
!! in either v1 or v2 or schema format.
!! @Note
!! 14/11/17 Pietro Delugas: new revision passed from iotk to FoX lib,
!! added support for new schema format
!
USE upf_kinds, ONLY: DP
!
IMPLICIT NONE
PRIVATE
PUBLIC :: read_ps
!
CONTAINS
!
SUBROUTINE read_ps ( filein, upf_in )
!
! stripped-down version of readpp in Modules/read_pseudo.f90:
! for serial execution only
! stripped-down version of readpp in Modules/read_pseudo.f90
! for serial execution only and for usage in conversion codes
!
USE read_upf_v1_module, ONLY: read_upf_v1
USE read_upf_new_module,ONLY: read_upf_new
@ -128,7 +111,3 @@ SUBROUTINE read_ps ( filein, upf_in )
!
RETURN
END SUBROUTINE read_ps
!=----------------------------------------------------------------------------=!
END MODULE upf_module
!=----------------------------------------------------------------------------=!

View File

@ -27,7 +27,6 @@ PROGRAM upfconv
!
USE pseudo_types, ONLY : pseudo_upf, deallocate_pseudo_upf
USE casino_pp, ONLY : conv_upf2casino, write_casino_tab
USE upf_module, ONLY : read_ps
USE write_upf_new,ONLY : write_upf
!
IMPLICIT NONE

View File

@ -28,7 +28,6 @@ PROGRAM virtual_test
USE upf_kinds, ONLY: dp
USE pseudo_types, ONLY : pseudo_upf, deallocate_pseudo_upf
USE upf_module, ONLY : read_ps
USE write_upf_new, ONLY : write_upf
USE upf_io, ONLY : stdin, stdout
!