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Searched refs:version_dftD (Results 1 – 5 of 5) sorted by relevance

/dports/science/openmx/openmx3.8/source/
H A Dopenmx.c460 if(dftD_switch==1 && version_dftD==2) DFTDvdW_init(); in main()
461 if(dftD_switch==1 && version_dftD==3) DFTD3vdW_init(); in main()
H A DInput_std.c1656 input_int("version.dftD",&version_dftD,2); /* Ellner */ in Input_std()
1658 if (version_dftD!=2 && version_dftD!=3){ in Input_std()
1721 if(version_dftD==3) input_double("DFTD.scale6",&s6_dftD,1.0); /* FIXED */ in Input_std()
H A Dopenmx_common.h3920 int version_dftD; /* 1-->DFT-D2 (Okuno), 2-->DFT-D3 with zero damping, 3--> DFT-D3 with… variable
H A DFree_Arrays.c2188 if(dftD_switch==1 && version_dftD==2){ in array0()
2205 if(dftD_switch==1 && version_dftD==3){ in array0()
H A DTotal_Energy.c180 if(version_dftD==2) ECE[13] = Calc_EdftD(); in Total_Energy()
181 if(version_dftD==3) ECE[13] = Calc_EdftD3(); in Total_Energy()