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Merge branch 'develop' into next_release

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This commit is contained in:
Axel Kohlmeyer
2025-02-03 17:55:37 -05:00
parent 8a0027e788 87dae19019
commit 995d6ab41f
157 changed files with 52663 additions and 3167 deletions
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64
python/lammps/numpy_wrapper.py
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@ -422,45 +422,51 @@ class numpy_wrapper:
# -------------------------------------------------------------------------
def iarray(self, c_int_type, raw_ptr, nelem, dim=1):
if raw_ptr is None:
return None
if raw_ptr and nelem >= 0 and dim >= 0:
import numpy as np
np_int_type = self._ctype_to_numpy_int(c_int_type)
ptr = None
import numpy as np
np_int_type = self._ctype_to_numpy_int(c_int_type)
if dim == 1:
ptr = cast(raw_ptr, POINTER(c_int_type * nelem))
elif raw_ptr[0]:
ptr = cast(raw_ptr[0], POINTER(c_int_type * nelem * dim))
if dim == 1:
ptr = cast(raw_ptr, POINTER(c_int_type * nelem))
else:
ptr = cast(raw_ptr[0], POINTER(c_int_type * nelem * dim))
if ptr:
a = np.frombuffer(ptr.contents, dtype=np_int_type)
else:
a = np.empty(0, dtype=np_int_type)
a = np.frombuffer(ptr.contents, dtype=np_int_type)
if dim > 1:
a.shape = (nelem, dim)
else:
a.shape = (nelem)
return a
if dim > 1:
a.shape = (nelem, dim)
else:
a.shape = (nelem)
return a
return None
# -------------------------------------------------------------------------
def darray(self, raw_ptr, nelem, dim=1):
if raw_ptr is None:
return None
if raw_ptr and nelem >= 0 and dim >= 0:
import numpy as np
ptr = None
import numpy as np
if dim == 1:
ptr = cast(raw_ptr, POINTER(c_double * nelem))
elif raw_ptr[0]:
ptr = cast(raw_ptr[0], POINTER(c_double * nelem * dim))
if dim == 1:
ptr = cast(raw_ptr, POINTER(c_double * nelem))
else:
ptr = cast(raw_ptr[0], POINTER(c_double * nelem * dim))
if ptr:
a = np.frombuffer(ptr.contents)
else:
a = np.empty(0, c_double)
a = np.frombuffer(ptr.contents)
if dim > 1:
a.shape = (nelem, dim)
else:
a.shape = (nelem)
return a
if dim > 1:
a.shape = (nelem, dim)
else:
a.shape = (nelem)
return a
return None
# -------------------------------------------------------------------------