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add utility function to get the units tag value from a potential file

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This commit is contained in:
Axel Kohlmeyer
2020-06-14 06:22:47 -04:00
parent d84b4a3fff
commit 0481184862
3 changed files with 53 additions and 9 deletions
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9
src/utils.h
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@ -142,7 +142,6 @@ namespace LAMMPS_NS {
tagint tnumeric(const char *file, int line, const char *str,
bool do_abort, LAMMPS *lmp);
/**
* \brief Trim anything from '#' onward
* \param line string that should be trimmed
@ -233,6 +232,14 @@ namespace LAMMPS_NS {
* \return DATE field if present
*/
std::string get_potential_date(const std::string & path, const std::string & potential_name);
/**
* \brief Read potential file and return UNITS field if it is present
* \param path file path
* \param potential_name name of potential that is being read
* \return UNITS field if present
*/
std::string get_potential_units(const std::string & path, const std::string & potential_name);
}
}