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Searched refs:OptStartDIIS (Results 1 – 4 of 4) sorted by relevance

/dports/science/openmx/openmx3.8/source/
H A DMD_pac.c1698 if (iter<OptStartDIIS){ in Cell_Opt_RF()
1702 else if (iter==OptStartDIIS){ in Cell_Opt_RF()
1924 if (iter<OptStartDIIS){ in Geometry_Opt_RF()
1928 else if (iter==OptStartDIIS){ in Geometry_Opt_RF()
2096 if (iter<OptStartDIIS){ in Geometry_Opt_DIIS()
2100 else if (iter==OptStartDIIS){ in Geometry_Opt_DIIS()
2269 if (iter<OptStartDIIS){ in Geometry_Opt_DIIS_BFGS()
2273 else if (iter==OptStartDIIS){ in Geometry_Opt_DIIS_BFGS()
2438 if (iter<OptStartDIIS){ in Geometry_Opt_DIIS_EF()
2442 else if (iter==OptStartDIIS){ in Geometry_Opt_DIIS_EF()
H A Dneb.c1761 if (iter<OptStartDIIS){ in DIIS_BFGS()
1859 dim = iter - OptStartDIIS + 1; in DIIS_BFGS()
1978 if (iter==OptStartDIIS){ in DIIS_BFGS()
H A Dopenmx_common.h2476 int M_GDIIS_HISTORY,OptStartDIIS,OptEveryDIIS; variable
H A DInput_std.c496 input_int("MD.Opt.StartDIIS",&OptStartDIIS,5); in Input_std()