ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

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

Browse Source
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
Download Patch File Download Diff File Expand all files Collapse all files

4
examples/COUPLE/fortran2/LAMMPS-wrapper.cpp
View File

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

4
examples/COUPLE/fortran2/LAMMPS-wrapper.h
View File

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

2
examples/COUPLE/fortran2/LAMMPS.F90
View File

@ -1292,7 +1292,7 @@ contains !! Wrapper functions local to this module {{{1
Cname = string2Cstring (name)
Ccount = size(data) / natoms
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')
Fdata = data
Cdata = C_loc (Fdata(1))

5
examples/COUPLE/fortran2/README
View File

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

4
examples/COUPLE/fortran_dftb/LAMMPS-wrapper.cpp
View File

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

4
examples/COUPLE/fortran_dftb/LAMMPS-wrapper.h
View File

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

4
examples/COUPLE/fortran_dftb/LAMMPS-wrapper2.cpp
View File

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

4
examples/COUPLE/fortran_dftb/LAMMPS.F90
View File

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