Commit c156734c authored by Gregor Michalicek's avatar Gregor Michalicek

Add some warnings if stars, lattice harmonics, structure changed but broyden files are detected

parent 38f2ffe3
......@@ -258,6 +258,10 @@ MODULE m_cdnpot_io_hdf
CALL juDFT_error('stars entry '//TRIM(ADJUSTL(groupName))//' already exists.' ,calledby ="writeStarsHDF")
END IF
INQUIRE(FILE='broyd',EXIST=l_exist)
IF (.NOT.l_exist) INQUIRE(FILE='broyd.7',EXIST=l_exist)
IF (l_exist) CALL juDFT_warn('Stars change but broyden files detected!')
CALL h5gcreate_f(fileID, TRIM(ADJUSTL(groupName)), groupID, hdfError)
ft2_gf_dim = SIZE(stars%ft2_gfx,1)
......@@ -645,6 +649,10 @@ MODULE m_cdnpot_io_hdf
CALL juDFT_error('stepfunction entry '//TRIM(ADJUSTL(groupName))//' already exists.' ,calledby ="writeStepfunctionHDF")
END IF
INQUIRE(FILE='broyd',EXIST=l_exist)
IF (.NOT.l_exist) INQUIRE(FILE='broyd.7',EXIST=l_exist)
IF (l_exist) CALL juDFT_warn('Stepfunction change but broyden files detected!')
ifftd = size(stars%ufft)
CALL h5gcreate_f(fileID, TRIM(ADJUSTL(groupName)), groupID, hdfError)
......@@ -787,6 +795,10 @@ MODULE m_cdnpot_io_hdf
CALL juDFT_error('latharms entry '//TRIM(ADJUSTL(groupName))//' already exists.' ,calledby ="writeLatharmsHDF")
END IF
INQUIRE(FILE='broyd',EXIST=l_exist)
IF (.NOT.l_exist) INQUIRE(FILE='broyd.7',EXIST=l_exist)
IF (l_exist) CALL juDFT_warn('Lattice harmonics change but broyden files detected!')
CALL h5gcreate_f(fileID, TRIM(ADJUSTL(groupName)), groupID, hdfError)
CALL io_write_attint0(groupID,'structureIndex',structureIndex)
......@@ -975,6 +987,10 @@ MODULE m_cdnpot_io_hdf
CALL juDFT_error('structure entry '//TRIM(ADJUSTL(groupName))//' already exists.' ,calledby ="writeStructureHDF")
END IF
INQUIRE(FILE='broyd',EXIST=l_exist)
IF (.NOT.l_exist) INQUIRE(FILE='broyd.7',EXIST=l_exist)
IF (l_exist) CALL juDFT_warn('Structure change but broyden files detected!')
CALL h5gcreate_f(fileID, TRIM(ADJUSTL(groupName)), groupID, hdfError)
CALL io_write_attlog0(groupID,'l_film',input%film)
......
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