address spelling and manual processing issues
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@ -76,7 +76,7 @@ It documents the following functions:
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-----------------------
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-----------------------
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.. doxygenfunction:: lammps_create_atoms(void *handle, int n, int *id, int *type, double *x, double *v, int *image, int bexpand)
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.. doxygenfunction:: lammps_create_atoms(void *handle, int n, const int *id, const int *type, const double *x, const double *v, const int *image, int bexpand)
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:project: progguide
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:project: progguide
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@ -5,7 +5,7 @@ Access to neighbor lists is handled through a couple of wrapper classes
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that allows to treat it like either a python list or a NumPy array. The
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that allows to treat it like either a python list or a NumPy array. The
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access procedure is similar to that of the C-library interface: use one
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access procedure is similar to that of the C-library interface: use one
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of the "find" functions to look up the index of the neighbor list in the
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of the "find" functions to look up the index of the neighbor list in the
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global table of neighbor lists and then get access to the neigbor list
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global table of neighbor lists and then get access to the neighbor list
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data. The code sample below demonstrates reading the neighbor list data
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data. The code sample below demonstrates reading the neighbor list data
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using the NumPy access method.
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using the NumPy access method.
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@ -2681,6 +2681,7 @@ representable
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Reproducibility
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Reproducibility
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reproducibility
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reproducibility
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repuls
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repuls
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reqid
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rescale
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rescale
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rescaled
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rescaled
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rescales
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rescales
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@ -1753,9 +1753,9 @@ class lammps(object):
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Search for a neighbor list requested by a pair style instance that
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Search for a neighbor list requested by a pair style instance that
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matches "style". If exact is True, the pair style name must match
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matches "style". If exact is True, the pair style name must match
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exactly. If exact is False, the pair style name is matched against
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exactly. If exact is False, the pair style name is matched against
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"style" as regular expression or substring. If the pair style is a
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"style" as regular expression or sub-string. If the pair style is a
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hybrid pair style, the style is instead matched against the hybrid
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hybrid pair style, the style is instead matched against the hybrid
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sub-styles. If the same pair style is used as substyle multiple
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sub-styles. If the same pair style is used as sub-style multiple
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types, you must set nsub to a value n > 0 which indicates the nth
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types, you must set nsub to a value n > 0 which indicates the nth
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instance of that sub-style to be used (same as for the pair_coeff
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instance of that sub-style to be used (same as for the pair_coeff
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command). The default value of 0 will fail to match in that case.
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command). The default value of 0 will fail to match in that case.
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@ -3926,7 +3926,7 @@ int lammps_create_atoms(void *handle, int n, const tagint *id, const int *type,
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* This function determines which of the available neighbor lists for
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* This function determines which of the available neighbor lists for
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* pair styles matches the given conditions. It first matches the style
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* pair styles matches the given conditions. It first matches the style
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* name. If exact is 1 the name must match exactly, if exact is 0, a
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* name. If exact is 1 the name must match exactly, if exact is 0, a
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* regular expression or substring match is done. If the pair style is
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* regular expression or sub-string match is done. If the pair style is
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* hybrid or hybrid/overlay the style is matched against the sub styles
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* hybrid or hybrid/overlay the style is matched against the sub styles
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* instead.
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* instead.
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* If a the same pair style is used multiple times as a sub-style, the
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* If a the same pair style is used multiple times as a sub-style, the
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@ -3941,7 +3941,7 @@ int lammps_create_atoms(void *handle, int n, const tagint *id, const int *type,
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* \param handle pointer to a previously created LAMMPS instance cast to ``void *``.
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* \param handle pointer to a previously created LAMMPS instance cast to ``void *``.
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* \param style String used to search for pair style instance
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* \param style String used to search for pair style instance
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* \param exact Flag to control whether style should match exactly or only
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* \param exact Flag to control whether style should match exactly or only
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* a regular expression / substring match is applied.
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* a regular expression / sub-string match is applied.
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* \param nsub match nsub-th hybrid sub-style instance of the same style
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* \param nsub match nsub-th hybrid sub-style instance of the same style
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* \param reqid request id to identify neighbor list in case there are
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* \param reqid request id to identify neighbor list in case there are
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* multiple requests from the same pair style instance
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* multiple requests from the same pair style instance
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