ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

correct use of utils function

Browse Source
This commit is contained in:
Axel Kohlmeyer
2021-10-07 12:39:58 -04:00
parent 6a9bb577cf
commit 0f442fddd9
1 changed files with 3 additions and 2 deletions
Download Patch File Download Diff File Expand all files Collapse all files

5
src/REAXFF/reaxff_ffield.cpp
View File

@ -39,6 +39,7 @@
using LAMMPS_NS::utils::open_potential;
using LAMMPS_NS::utils::getsyserror;
using LAMMPS_NS::utils::uppercase;
namespace ReaxFF {
@ -161,9 +162,9 @@ namespace ReaxFF {
THROW_ERROR("Invalid force field file format");
// copy element symbol in uppercase and truncate stored element symbol if necessary
auto element = utils::uppercase(values.next_string());
auto element = uppercase(values.next_string());
strncpy(sbp[i].name,element.c_str(),4);
sbp[i].name[4] = '\0';
sbp[i].name[3] = '\0';
sbp[i].r_s = values.next_double();
sbp[i].valency = values.next_double();