@@ -32,22 +32,22 @@ namespace DeePKS_domain
3232 // 2. cal_f_delta_k, which is used for multi-k calculation
3333 // 3. check_f_delta, which prints F_delta into F_delta.dat for checking
3434
35- // for gamma only, pulay and HF terms of force are calculated together
36- void cal_f_delta_gamma (
37- const std::vector<std::vector<double >>& dm,
38- const UnitCell& ucell,
39- const LCAO_Orbitals& orb,
40- const Grid_Driver& GridD,
41- const Parallel_Orbitals& pv,
42- const int lmaxd,
43- const int nks,
44- const std::vector<ModuleBase::Vector3<double >>& kvec_d,
45- std::vector<std::vector<std::unordered_map<int , std::vector<std::vector<double >>>>>& nlm_save,
46- double ** gedm,
47- ModuleBase::IntArray* inl_index,
48- ModuleBase::matrix& f_delta,
49- const bool isstress,
50- ModuleBase::matrix& svnl_dalpha);
35+ // for gamma only, pulay and HF terms of force are calculated together
36+ void cal_f_delta_gamma (
37+ const std::vector<std::vector<double >>& dm,
38+ const UnitCell& ucell,
39+ const LCAO_Orbitals& orb,
40+ const Grid_Driver& GridD,
41+ const Parallel_Orbitals& pv,
42+ const int lmaxd,
43+ const int nks,
44+ const std::vector<ModuleBase::Vector3<double >>& kvec_d,
45+ std::vector<std::vector<std::unordered_map<int , std::vector<std::vector<double >>>>>& nlm_save,
46+ double ** gedm,
47+ ModuleBase::IntArray* inl_index,
48+ ModuleBase::matrix& f_delta,
49+ const bool isstress,
50+ ModuleBase::matrix& svnl_dalpha);
5151
5252// for multi-k, pulay and HF terms of force are calculated together
5353
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