ICODE-ADC/lammps
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consistently compare atom->molecular against enumerator constants

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This commit is contained in:
Axel Kohlmeyer
2021-03-14 01:25:22 -05:00
parent a1b26fdfc4
commit 8c4918457f
79 changed files with 89 additions and 89 deletions
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src/info.cpp
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@ -432,7 +432,7 @@ void Info::command(int narg, char **arg)
fmt::print(out,"Units = {}\n", update->unit_style);
fmt::print(out,"Atom style = {}\n", atom->atom_style);
fmt::print(out,"Atom map = {}\n", mapstyles[atom->map_style]);
if (atom->molecular > 0) {
if (atom->molecular != Atom::ATOMIC) {
const char *msg;
msg = (atom->molecular == Atom::TEMPLATE) ? "template" : "standard";
fmt::print(out,"Molecule type = {}\n",msg);
@ -447,7 +447,7 @@ void Info::command(int narg, char **arg)
fmt::print(out," {}", hybrid->keywords[i]);
fputc('\n',out);
}
if (atom->molecular > 0) {
if (atom->molecular != Atom::ATOMIC) {
const char *msg;
msg = force->bond_style ? force->bond_style : "none";
fmt::print(out,"Bonds = {:12}, types = {:8}, style = {}\n",