Correctly reproduced examples/in.snap.compute, not yet for quadratic case

This commit is contained in:
Aidan Thompson
2020-07-02 14:32:47 -06:00
parent 2a4e51fa38
commit bc36511767
3 changed files with 21 additions and 27 deletions

View File

@ -315,6 +315,7 @@ void Thermo::header()
std::string hdr;
for (int i = 0; i < nfield; i++) hdr += keyword[i] + std::string(" ");
hdr += "\n";
if (me == 0) utils::logmesg(lmp,hdr);
}