Update value parsing in Molecule
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@ -15,6 +15,8 @@
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#define LMP_ONE_MOLECULE_H
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#include "pointers.h"
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#include <string>
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#include <vector>
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namespace LAMMPS_NS {
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@ -94,7 +96,7 @@ class Molecule : protected Pointers {
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// fragment info
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int **fragmentmask; // nfragments by natoms
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char **fragmentnames;
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std::vector<std::string> fragmentnames;
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double center[3]; // geometric center of molecule
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double masstotal; // total mass of molecule
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@ -163,7 +165,6 @@ class Molecule : protected Pointers {
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void readline(char *);
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void parse_keyword(int, char *, char *);
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void skip_lines(int, char *);
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int parse(char *, char **, int);
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// void print();
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};
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