diff --git a/tools/msi2lmp/src/msi2lmp.h b/tools/msi2lmp/src/msi2lmp.h index 227620fcb7..c15e555ef7 100644 --- a/tools/msi2lmp/src/msi2lmp.h +++ b/tools/msi2lmp/src/msi2lmp.h @@ -102,7 +102,7 @@ struct AngleAngleList { struct AtomTypeList { char potential[5]; - float mass; + double mass; double params[2]; int no_connect; }; @@ -150,7 +150,7 @@ struct Atom { int image[3]; /* image flag */ char potential[6]; /* atom potential type */ char element[4]; /* atom element */ - float q; /* charge */ + double q; /* charge */ char residue_string[MAX_NAME]; /* residue string */ int no_connect; /* number of connections to atom */ char connections[MAX_CONNECTIONS][MAX_STRING]; /* long form, connection name*/