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switch proc_grid to procgrid with backward compatibility for PyLammps

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Axel Kohlmeyer
2024-06-18 21:13:14 -04:00
parent d2ea3b1ac5
commit 19a8313578
4 changed files with 8 additions and 9 deletions
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9
src/library.cpp
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@ -1407,7 +1407,7 @@ int lammps_extract_global_datatype(void * /*handle*/, const char *name)
if (strcmp(name,"xy") == 0) return LAMMPS_DOUBLE;
if (strcmp(name,"xz") == 0) return LAMMPS_DOUBLE;
if (strcmp(name,"yz") == 0) return LAMMPS_DOUBLE;
if (strcmp(name,"proc_grid") == 0) return LAMMPS_INT;
if (strcmp(name,"procgrid") == 0) return LAMMPS_INT;
if (strcmp(name,"natoms") == 0) return LAMMPS_BIGINT;
if (strcmp(name,"nbonds") == 0) return LAMMPS_BIGINT;
@ -1626,7 +1626,7 @@ report the "native" data type. The following tables are provided:
- double
- 1
- triclinic tilt factor. See :doc:`Howto_triclinic`.
* - proc_grid
* - procgrid
- int
- 3
- processor count assigned to each dimension of 3d grid. See :doc:`processors`.
@ -1887,9 +1887,8 @@ void *lammps_extract_global(void *handle, const char *name)
if (strcmp(name,"xy") == 0) return (void *) &lmp->domain->xy;
if (strcmp(name,"xz") == 0) return (void *) &lmp->domain->xz;
if (strcmp(name,"yz") == 0) return (void *) &lmp->domain->yz;
if ((lmp->comm->layout == Comm::LAYOUT_UNIFORM ||
lmp->comm->layout == Comm::LAYOUT_NONUNIFORM) &&
(strcmp(name,"proc_grid") == 0))
if (((lmp->comm->layout == Comm::LAYOUT_UNIFORM) ||
(lmp->comm->layout == Comm::LAYOUT_NONUNIFORM)) && (strcmp(name,"procgrid") == 0))
return (void *) &lmp->comm->procgrid;
if (strcmp(name,"natoms") == 0) return (void *) &lmp->atom->natoms;