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updates from Karl Hammond to adjust his email and correct an error message

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This commit is contained in:
Axel Kohlmeyer
2022-06-21 20:37:20 -04:00
parent b0f4ef8a39
commit b0c673d856
8 changed files with 15 additions and 16 deletions
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4
examples/COUPLE/fortran2/LAMMPS-wrapper.cpp
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@ -12,8 +12,8 @@
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
/* ------------------------------------------------------------------------ /* ------------------------------------------------------------------------
Contributing author: Karl D. Hammond <karlh@ugcs.caltech.edu> Contributing author: Karl D. Hammond <hammondkd@missouri.edu>
University of Tennessee, Knoxville (USA), 2012 University of Missouri (USA), 2012
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
/* This is set of "wrapper" functions to assist LAMMPS.F90, which itself /* This is set of "wrapper" functions to assist LAMMPS.F90, which itself

4
examples/COUPLE/fortran2/LAMMPS-wrapper.h
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@ -12,8 +12,8 @@
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
/* ------------------------------------------------------------------------ /* ------------------------------------------------------------------------
Contributing author: Karl D. Hammond <karlh@ugcs.caltech.edu> Contributing author: Karl D. Hammond <hammondkd@missouri.edu>
University of Tennessee, Knoxville (USA), 2012 University of Missouri (USA), 2012
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
/* This is set of "wrapper" functions to assist LAMMPS.F90, which itself /* This is set of "wrapper" functions to assist LAMMPS.F90, which itself

2
examples/COUPLE/fortran2/LAMMPS.F90
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@ -1292,7 +1292,7 @@ contains !! Wrapper functions local to this module {{{1
Cname = string2Cstring (name) Cname = string2Cstring (name)
Ccount = size(data) / natoms Ccount = size(data) / natoms
if ( Ccount /= 1 .and. Ccount /= 3 ) & if ( Ccount /= 1 .and. Ccount /= 3 ) &
call lammps_error_all (ptr, FLERR, 'lammps_gather_atoms requires& call lammps_error_all (ptr, FLERR, 'lammps_scatter_atoms requires&
& count to be either 1 or 3') & count to be either 1 or 3')
Fdata = data Fdata = data
Cdata = C_loc (Fdata(1)) Cdata = C_loc (Fdata(1))

5
examples/COUPLE/fortran2/README
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@ -11,9 +11,8 @@ This interface was created by Karl Hammond who you can contact with
questions: questions:
Karl D. Hammond Karl D. Hammond
University of Tennessee, Knoxville University of Missouri
karlh at ugcs.caltech.edu hammondkd at missouri.edu
karlh at utk.edu
------------------------------------- -------------------------------------

4
examples/COUPLE/fortran_dftb/LAMMPS-wrapper.cpp
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@ -12,8 +12,8 @@
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
/* ------------------------------------------------------------------------ /* ------------------------------------------------------------------------
Contributing author: Karl D. Hammond <karlh@ugcs.caltech.edu> Contributing author: Karl D. Hammond <hammondkd@missouri.edu>
University of Tennessee, Knoxville (USA), 2012 University of Missouri (USA), 2012
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
/* This is set of "wrapper" functions to assist LAMMPS.F90, which itself /* This is set of "wrapper" functions to assist LAMMPS.F90, which itself

4
examples/COUPLE/fortran_dftb/LAMMPS-wrapper.h
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@ -12,8 +12,8 @@
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
/* ------------------------------------------------------------------------ /* ------------------------------------------------------------------------
Contributing author: Karl D. Hammond <karlh@ugcs.caltech.edu> Contributing author: Karl D. Hammond <hammondkd@missouri.edu>
University of Tennessee, Knoxville (USA), 2012 University of Missouri (USA), 2012
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
/* This is set of "wrapper" functions to assist LAMMPS.F90, which itself /* This is set of "wrapper" functions to assist LAMMPS.F90, which itself

4
examples/COUPLE/fortran_dftb/LAMMPS-wrapper2.cpp
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@ -12,8 +12,8 @@
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
/* ------------------------------------------------------------------------ /* ------------------------------------------------------------------------
Contributing author: Karl D. Hammond <karlh@ugcs.caltech.edu> Contributing author: Karl D. Hammond <hammondkd@missouri.edu>
University of Tennessee, Knoxville (USA), 2012 University of Missouri (USA), 2012
------------------------------------------------------------------------- */ ------------------------------------------------------------------------- */
/* This is set of "wrapper" functions to assist LAMMPS.F90, which itself /* This is set of "wrapper" functions to assist LAMMPS.F90, which itself

4
examples/COUPLE/fortran_dftb/LAMMPS.F90
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@ -12,8 +12,8 @@
!-------------------------------------------------------------------------- !--------------------------------------------------------------------------
!! ------------------------------------------------------------------------ !! ------------------------------------------------------------------------
! Contributing author: Karl D. Hammond <karlh@ugcs.caltech.edu> ! Contributing author: Karl D. Hammond <hammondkd@missouri.edu>
! University of Tennessee, Knoxville (USA), 2012 ! University of Missouri (USA), 2012
!-------------------------------------------------------------------------- !--------------------------------------------------------------------------
!! LAMMPS, a Fortran 2003 module containing an interface between Fortran !! LAMMPS, a Fortran 2003 module containing an interface between Fortran