Skip to content
Merged
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
2 changes: 2 additions & 0 deletions source/Makefile.Objects
Original file line number Diff line number Diff line change
Expand Up @@ -189,6 +189,8 @@ OBJS_CELL=atom_pseudo.o\
check_atomic_stru.o\
update_cell.o\
bcast_cell.o\
read_stru.o\
read_atom_species.o\

OBJS_DEEPKS=LCAO_deepks.o\
deepks_force.o\
Expand Down
2 changes: 2 additions & 0 deletions source/module_cell/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -25,6 +25,8 @@ add_library(
check_atomic_stru.cpp
update_cell.cpp
bcast_cell.cpp
read_stru.cpp
read_atom_species.cpp
)

if(ENABLE_COVERAGE)
Expand Down
12 changes: 4 additions & 8 deletions source/module_cell/module_neighbor/test/prepare_unitcell.h
Original file line number Diff line number Diff line change
Expand Up @@ -76,16 +76,12 @@ class UcellTestPrepare
this->lmaxmax,
this->init_vel,
this->fixed_axes);
delete[] ucell->atom_label;
delete[] ucell->atom_mass;
delete[] ucell->pseudo_fn;
delete[] ucell->pseudo_type;

delete[] ucell->magnet.start_magnetization; //mag set here
ucell->atom_label = new std::string[ucell->ntype];
ucell->atom_mass = new double[ucell->ntype];
ucell->pseudo_fn = new std::string[ucell->ntype];
ucell->pseudo_type = new std::string[ucell->ntype];
ucell->atom_label.resize(ucell->ntype);
ucell->atom_mass.resize(ucell->ntype);
ucell->pseudo_fn.resize(ucell->ntype);
ucell->pseudo_type.resize(ucell->ntype);
ucell->orbital_fn.resize(ucell->ntype);
ucell->magnet.start_magnetization = new double[ucell->ntype]; //mag set here
ucell->magnet.ux_[0] = 0.0; // ux_ set here
Expand Down
Loading
Loading