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Fixes for intel compiler
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@ -22,7 +22,7 @@ struct bin_tree {
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int NBF;
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};
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#include "/usr/include/x86_64-linux-gnu/cblas.h"
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#include "/export/apps/pgi/linux86-64/18.10/include/cblas.h"
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#define MAX_SOMO 32
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@ -119,7 +119,7 @@ subroutine davidson_diag_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,N_st,N_st_dia
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include 'constants.include.F'
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N_st_diag = N_st_diag_in
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!DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: U, W, S, y, S_d, h, lambda
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!DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: U, W, y, h, lambda
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if (N_st_diag*3 > sze) then
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print *, 'error in Davidson :'
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print *, 'Increase n_det_max_full to ', N_st_diag*3
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@ -117,7 +117,7 @@ subroutine davidson_diag_csf_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N
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include 'constants.include.F'
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N_st_diag = N_st_diag_in
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!DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: U, W, S, y, S_d, h, lambda
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!DIR$ ATTRIBUTES ALIGN : $IRP_ALIGN :: U, W, y, h, lambda
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if (N_st_diag*3 > sze) then
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print *, 'error in Davidson :'
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print *, 'Increase n_det_max_full to ', N_st_diag*3
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@ -231,7 +231,7 @@ subroutine davidson_diag_csf_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N
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8, fd_w, .False., ptr_w)
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call c_f_pointer(ptr_w, W_csf, (/sze_csf,N_st_diag*itermax/))
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else
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allocate(W(sze,N_st_diag),W_csf(sze_csf,N_st_diag*itermax),)
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allocate(W(sze,N_st_diag),W_csf(sze_csf,N_st_diag*itermax))
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endif
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allocate( &
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