/dports/science/openmx/openmx3.8/source/ |
H A D | TRAN_Allocate_NC.c | 46 int SpinP_switch, in TRAN_Allocate_Cregion_NC() 82 void TRAN_Deallocate_Cregion_NC(int SpinP_switch) in TRAN_Deallocate_Cregion_NC()
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H A D | TRAN_Allocate.c | 47 int SpinP_switch, in TRAN_Allocate_Cregion() 86 void TRAN_Deallocate_Cregion(int SpinP_switch) in TRAN_Deallocate_Cregion()
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H A D | TRAN_Input_std.c | 29 int SpinP_switch, in TRAN_Input_std()
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H A D | TRAN_Add_ADensity_Lead.c | 27 int SpinP_switch, in TRAN_Add_ADensity_Lead()
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H A D | TRAN_Add_Density_Lead.c | 29 int SpinP_switch, in TRAN_Add_Density_Lead()
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H A D | DosMain.c | 125 int SpinP_switch; in main() local 362 int SpinP_switch, double *****EIGEN, int neg, in Dos_Histgram() 462 int SpinP_switch, double *****EIGEN, double *******ev, in Dos_Gaussian() 641 int SpinP_switch, in DosDC_Gaussian() 817 int SpinP_switch, double *****EIGEN, double *******ev, in Dos_NEGF() 969 int SpinP_switch, double *****EIGEN, double *******ev, in Dos_Tetrahedron() 1151 int SpinP_switch, double *****EIGEN, double *******ev, int neg, in Spectra_Gaussian() 1830 int SpinP_switch, double *****EIGEN, double *******ev, int neg, in Spectra_Tetrahedron() 2293 int SpinP_switch, double *****EIGEN, double *******ev, int neg, in Spectra_NEGF() 2644 int *SpinP_switch, int Kgrid[3], int *atomnum, int **WhatSpecies, in input_file_eg() [all …]
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H A D | read_scfout.h | 30 int SpinP_switch; variable
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H A D | MTRAN_EigenChannel.c | 108 int SpinP_switch, in MTRAN_EigenChannel() 286 int SpinP_switch, in MTRAN_EigenChannel_NC()
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H A D | TRAN_Apply_Bias2e.c | 30 int SpinP_switch, in TRAN_Apply_Bias2e()
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H A D | TRAN_Output_Trans_HS.c | 84 int SpinP_switch, in TRAN_Output_Trans_HS() 180 int SpinP_switch, in TRAN_Output_Trans_HS_Normal() 742 int SpinP_switch, in TRAN_Output_Trans_HS_Direct()
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H A D | TRAN_Main_Analysis.c | 41 static int SpinP_switch,SpinP_switch2; variable 2231 int SpinP_switch, in MTRAN_Transmission() 2447 int SpinP_switch, in MTRAN_Current() 2697 int SpinP_switch, in MTRAN_Output_Transmission() 2804 int SpinP_switch, in MTRAN_Output_Current() 2923 int SpinP_switch, in MTRAN_Output_Conductance() 3125 int *SpinP_switch, in MTRAN_Input() 3498 int SpinP_switch, in MTRAN_Set_SurfOverlap() 3742 int SpinP_switch, in MTRAN_Set_CentOverlap() 4105 int SpinP_switch) in MTRAN_Allocate_HS()
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H A D | TRAN_Main_Analysis_NC.c | 40 static int SpinP_switch,SpinP_switch2; variable 2306 int SpinP_switch, in MTRAN_Transmission() 2523 int SpinP_switch, in MTRAN_Current() 2785 int SpinP_switch, in MTRAN_Output_Transmission() 2890 int SpinP_switch, in MTRAN_Output_Current() 3009 int SpinP_switch, in MTRAN_Output_Conductance() 3197 int *SpinP_switch, in MTRAN_Input() 3566 int SpinP_switch, in MTRAN_Set_SurfOverlap() 3795 int SpinP_switch, in MTRAN_Set_CentOverlap() 4373 int SpinP_switch) in MTRAN_Allocate_HS()
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H A D | Cluster_DFT_Dosout.c | 40 double Cluster_DFT_Dosout( int SpinP_switch, in Cluster_DFT_Dosout() 77 double Cluster_Col_Dosout( int SpinP_switch, double *****nh, double ****CntOLP) in Cluster_Col_Dosout() 821 double Cluster_NonCol_Dosout( int SpinP_switch, in Cluster_NonCol_Dosout()
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H A D | TRAN_DFT_Dosout.c | 55 int SpinP_switch, in TRAN_DFT_Kdependent_NC() 495 int SpinP_switch, in TRAN_DFT_Dosout_NC() 967 int SpinP_switch, in TRAN_DFT_Kdependent_Col() 1411 int SpinP_switch, in TRAN_DFT_Dosout_Col() 1878 int SpinP_switch, in TRAN_DFT_Dosout()
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H A D | TRAN_DFT_NC.c | 147 int SpinP_switch, in TRAN_DFT_NC() 240 int SpinP_switch, in TRAN_DFT_Original() 874 int SpinP_switch, in TRAN_DFT_Kdependent()
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H A D | Band_DFT_kpath.c | 46 int SpinP_switch, in Band_DFT_kpath() 64 int SpinP_switch, in Band_DFT_kpath_Col() 716 int SpinP_switch, in Band_DFT_kpath_NonCol()
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H A D | Band_DFT_MO.c | 38 int SpinP_switch, in Band_DFT_MO() 55 int SpinP_switch, in Band_DFT_MO_Col() 859 int SpinP_switch, in Band_DFT_MO_NonCol()
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H A D | TRAN_DFT.c | 172 int SpinP_switch, in TRAN_DFT() 598 int SpinP_switch, in TRAN_DFT_Original() 1192 int SpinP_switch, in TRAN_DFT_Kdependent()
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H A D | Cluster_DFT_ScaLAPACK.c | 82 int SpinP_switch, in Cluster_DFT_ScaLAPACK() 114 int SpinP_switch, in Cluster_DFT_ScaLAPACK() 178 int SpinP_switch, in Cluster_collinear() 1412 int SpinP_switch, in Cluster_non_collinear()
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H A D | Cluster_DFT.c | 72 int SpinP_switch, in Cluster_DFT() 124 int SpinP_switch, in Cluster_collinear() 1482 int SpinP_switch, in Cluster_non_collinear()
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H A D | Band_DFT_Dosout.c | 59 int SpinP_switch, in Band_DFT_Dosout() 99 int SpinP_switch, in Band_DFT_DosoutGauss_Col() 1443 int SpinP_switch, in Band_DFT_DosoutGauss_NonCol() 2790 int SpinP_switch, in Band_DFT_Dosout_Col() 4245 int SpinP_switch, in Band_DFT_Dosout_NonCol()
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H A D | Band_DFT_Col_ScaLAPACK.c | 35 int SpinP_switch, in Band_DFT_Col_ScaLAPACK() 88 int SpinP_switch, in Band_DFT_Col_ScaLAPACK()
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H A D | TRAN_Set_CentOverlap.c | 62 int SpinP_switch, in TRAN_Set_CentOverlap()
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H A D | Unfolding_Bands.c | 61 int SpinP_switch, in Unfolding_Bands() 78 int SpinP_switch, in Unfolding_Bands_Col() 1228 int SpinP_switch, in Unfolding_Bands_NonCol()
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/dports/science/py-ase/ase-3.22.0/ase/calculators/openmx/ |
H A D | reader.py | 290 def readHam(SpinP_switch, FNAN, atomnum, Total_NumOrbs, natn, f): argument
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