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correct potential file output header (must have 3 comment lines)

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Axel Kohlmeyer
2022-02-12 10:12:16 -05:00
parent 8808b11d26
commit 096ea21dd9
1 changed files with 5 additions and 7 deletions
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12
tools/eam_database/create.f
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@ -243,14 +243,12 @@ ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc
outfile = outfile(1:index(outfile,' ')-1)//'.eam.alloy' outfile = outfile(1:index(outfile,' ')-1)//'.eam.alloy'
open(unit=1,file=outfile) open(unit=1,file=outfile)
call date_and_time(DATE=date) call date_and_time(DATE=date)
write(1,*) '# DATE: ',date(1:4),'-',date(5:6),'-',date(7:8),' ', write(1,*) 'DATE: ',date(1:4),'-',date(5:6),'-',date(7:8),
* 'UNITS: metal ', * ' UNITS: metal CONTRIBUTOR: Xiaowang Zhou xzhou@sandia.gov and ',
* 'CONTRIBUTOR: Xiaowang Zhou xzhou@sandia.gov and ', * 'Lucas Hale lucas.hale@nist.gov '
* 'Lucas Hale lucas.hale@nist.gov ', write(1,*) 'CITATION: X. W. Zhou, R. A. Johnson, ',
* 'CITATION: X. W. Zhou, R. A. Johnson, ',
* 'H. N. G. Wadley, Phys. Rev. B, 69, 144113(2004)' * 'H. N. G. Wadley, Phys. Rev. B, 69, 144113(2004)'
write(1,*) '# created by create.f' write(1,*) 'Generated by create.f'
write(1,*) '#'
write(1,8)ntypes,outelem write(1,8)ntypes,outelem
8 format(i5,' ',a24) 8 format(i5,' ',a24)
write(1,9)nrho,drho,nr,dr,rc write(1,9)nrho,drho,nr,dr,rc