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correct handling data of local computes which always needs to check rows and cols

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Axel Kohlmeyer
2022-06-20 18:10:57 -04:00
parent 3828c857f7
commit ffc5b12c5f
1 changed files with 8 additions and 1 deletions
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9
python/lammps/numpy_wrapper.py
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@ -165,7 +165,7 @@ class numpy_wrapper:
""" """
value = self.lmp.extract_compute(cid, cstyle, ctype) value = self.lmp.extract_compute(cid, cstyle, ctype)
if cstyle in (LMP_STYLE_GLOBAL, LMP_STYLE_LOCAL): if cstyle == LMP_STYLE_GLOBAL:
if ctype == LMP_TYPE_VECTOR: if ctype == LMP_TYPE_VECTOR:
nrows = self.lmp.extract_compute(cid, cstyle, LMP_SIZE_VECTOR) nrows = self.lmp.extract_compute(cid, cstyle, LMP_SIZE_VECTOR)
return self.darray(value, nrows) return self.darray(value, nrows)
@ -173,6 +173,13 @@ class numpy_wrapper:
nrows = self.lmp.extract_compute(cid, cstyle, LMP_SIZE_ROWS) nrows = self.lmp.extract_compute(cid, cstyle, LMP_SIZE_ROWS)
ncols = self.lmp.extract_compute(cid, cstyle, LMP_SIZE_COLS) ncols = self.lmp.extract_compute(cid, cstyle, LMP_SIZE_COLS)
return self.darray(value, nrows, ncols) return self.darray(value, nrows, ncols)
elif cstyle == LMP_STYLE_LOCAL:
nrows = self.lmp.extract_compute(cid, cstyle, LMP_SIZE_ROWS)
ncols = self.lmp.extract_compute(cid, cstyle, LMP_SIZE_COLS)
if ncols == 0:
return self.darray(value, nrows)
else:
return self.darray(value, nrows, ncols)
elif cstyle == LMP_STYLE_ATOM: elif cstyle == LMP_STYLE_ATOM:
if ctype == LMP_TYPE_VECTOR: if ctype == LMP_TYPE_VECTOR:
nlocal = self.lmp.extract_global("nlocal") nlocal = self.lmp.extract_global("nlocal")