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add missing update to property_atom function API

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This commit is contained in:
Axel Kohlmeyer
2022-04-14 12:34:58 -04:00
parent ac8d97d358
commit 29582f09a1
2 changed files with 6 additions and 6 deletions
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10
src/AWPMD/atom_vec_wavepacket.cpp
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@ -105,12 +105,12 @@ void AtomVecWavepacket::data_atom_post(int ilocal)
return -1 if name is unknown to this atom style
------------------------------------------------------------------------- */
int AtomVecWavepacket::property_atom(char *name)
int AtomVecWavepacket::property_atom(const std::string &name)
{
if (strcmp(name, "spin") == 0) return 0;
if (strcmp(name, "eradius") == 0) return 1;
if (strcmp(name, "ervel") == 0) return 2;
if (strcmp(name, "erforce") == 0) return 3;
if (name == "spin") return 0;
if (name == "eradius") return 1;
if (name == "ervel") return 2;
if (name == "erforce") return 3;
return -1;
}

2
src/AWPMD/atom_vec_wavepacket.h
View File

@ -32,7 +32,7 @@ class AtomVecWavepacket : public AtomVec {
void force_clear(int, size_t) override;
void create_atom_post(int) override;
void data_atom_post(int) override;
int property_atom(char *) override;
int property_atom(const std::string &) override;
void pack_property_atom(int, double *, int, int) override;
private: