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getting out of the insurance business :-)

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This commit is contained in:
Axel Kohlmeyer
2023-01-23 16:45:41 -05:00
parent 6148ee7ba4
commit 27da716852
312 changed files with 426 additions and 426 deletions
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10
python/lammps/core.py
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@ -1204,7 +1204,7 @@ class lammps(object):
# dtype = 0 for integer values, 1 for double values
# count = number of per-atom valus, 1 for type or charge, 3 for x or f
# returned data is a 1d vector - doc how it is ordered?
# NOTE: need to insure are converting to/from correct Python type
# NOTE: need to ensure are converting to/from correct Python type
# e.g. for Python list or NumPy or ctypes
def gather_atoms(self,name,dtype,count):
@ -1258,7 +1258,7 @@ class lammps(object):
# type = 0 for integer values, 1 for double values
# count = number of per-atom valus, 1 for type or charge, 3 for x or f
# assume data is of correct type and length, as created by gather_atoms()
# NOTE: need to insure are converting to/from correct Python type
# NOTE: need to ensure are converting to/from correct Python type
# e.g. for Python list or NumPy or ctypes
def scatter_atoms(self,name,dtype,count,data):
@ -1305,7 +1305,7 @@ class lammps(object):
# type = 0 for integer values, 1 for double values
# count = number of per-atom valus, 1 for type or charge, 3 for x or f
# returned data is a 1d vector - doc how it is ordered?
# NOTE: need to insure are converting to/from correct Python type
# NOTE: need to ensure are converting to/from correct Python type
# e.g. for Python list or NumPy or ctypes
def gather(self,name,dtype,count):
if name: name = name.encode()
@ -1354,7 +1354,7 @@ class lammps(object):
# type = 0 for integer values, 1 for double values
# count = number of per-atom valus, 1 for type or charge, 3 for x or f
# assume data is of correct type and length, as created by gather_atoms()
# NOTE: need to insure are converting to/from correct Python type
# NOTE: need to ensure are converting to/from correct Python type
# e.g. for Python list or NumPy or ctypes
def scatter(self,name,dtype,count,data):
@ -1414,7 +1414,7 @@ class lammps(object):
# type = type of each atom (1 to Ntypes) (required)
# x = coords of each atom as (N,3) array (required)
# v = velocity of each atom as (N,3) array (optional, can be None)
# NOTE: how could we insure are passing correct type to LAMMPS
# NOTE: how could we ensure are passing correct type to LAMMPS
# e.g. for Python list or NumPy, etc
# ditto for gather_atoms() above