add utils::open_potential() function to utils namespace
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18
src/utils.h
18
src/utils.h
@ -367,6 +367,24 @@ and *nhi* according to the following five cases:
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*/
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double get_conversion_factor(const int property, const int conversion);
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/** Open a potential file as specified by *name*
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*
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\verbatim embed:rst
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If opening the file fails, it will search for it in the folder(s)
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pointed to by the environment variable LAMMPS_POTENTIALS.
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If the potential file has a ``UNITS`` tag in the first line, its
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value is compared to the current :doc:`unit style <units>` setting.
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\endverbatim
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*
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* \param name file- or pathname of the potential file
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* \param lmp pointer to top-level LAMMPS class instance
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* \param auto_convert pointer to automatic unit conversion bitmask
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* \return FILE pointer of the opened potential file or NULL
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*/
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FILE *open_potential(const char *name, LAMMPS *lmp,
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int *auto_convert=nullptr);
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/** Convert a time string to seconds
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*
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* The strings "off" and "unlimited" result in -1
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