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Searched refs:c_pars (Results 1 – 16 of 16) sorted by relevance

/dports/science/helfem/HelFEM-21461e9/src/sadatom/
H A Ddftgrid.cpp516 …_Fxc(int x_func, const arma::vec & x_pars, int c_func, const arma::vec & c_pars, const arma::mat &… in eval_Fxc() argument
542 grid.compute_xc(c_func,c_pars); in eval_Fxc()
561 grid.compute_xc(c_func,c_pars); in eval_Fxc()
573 …_Fxc(int x_func, const arma::vec & x_pars, int c_func, const arma::vec & c_pars, const arma::mat &… in eval_Fxc() argument
600 grid.compute_xc(c_func,c_pars); in eval_Fxc()
619 grid.compute_xc(c_func,c_pars); in eval_Fxc()
H A Ddftgrid.h159 …void eval_Fxc(int x_func, const arma::vec & x_pars, int c_func, const arma::vec & c_pars, const ar…
161 …void eval_Fxc(int x_func, const arma::vec & x_pars, int c_func, const arma::vec & c_pars, const ar…
H A Dsolver.h197 arma::vec c_pars; variable
H A Dsolver.cpp663 c_pars = pc; in set_params()
728 …atgrid.eval_Fxc(x_func, x_pars, c_func, c_pars, full_density(conf.Pl), XCfull, conf.Exc, nelnum, E… in FockBuild()
732 grid.eval_Fxc(x_func, x_pars, c_func, c_pars, P/angfac, XCm, conf.Exc, nelnum, dftthr); in FockBuild()
816 …atgrid.eval_Fxc(x_func, x_pars, c_func, c_pars, full_density(conf.Pal), full_density(conf.Pbl), XC… in FockBuild()
821 …grid.eval_Fxc(x_func, x_pars, c_func, c_pars, Pa/angfac, Pb/angfac, XCam, XCbm, conf.Exc, nelnum, … in FockBuild()
/dports/biology/phyml/phyml-3.3.20200621/src/
H A Dsimu.c91 tree->c_pars = 0; in Simu_Pars()
122 if(FABS(old_pars - tree->c_pars) < SMALL) break; in Simu_Pars()
124 if((tree->c_pars > old_pars) && (step > 1)) in Simu_Pars()
137 old_pars = tree->c_pars; in Simu_Pars()
522 while((tree->c_pars > pars_old) && (step < 1000)); in Mov_Backward_Topo_Pars()
541 if(tree->c_pars < pars_old) return 1; in Mov_Backward_Topo_Pars()
542 else if(tree->c_pars == pars_old) return -1; in Mov_Backward_Topo_Pars()
H A Dspr.c588 init_pars = tree->c_pars; in Test_One_Spr_Target()
687 move->pars = tree->c_pars; in Test_One_Spr_Target()
718 tree->c_pars = init_pars; in Test_One_Spr_Target()
1048 tree->best_pars = tree->c_pars; in Speed_Spr()
1051 old_pars = tree->c_pars; in Speed_Spr()
1058 old_pars = tree->c_pars; in Speed_Spr()
1101 if(tree->c_pars < tree->best_pars) tree->best_pars = tree->c_pars; in Speed_Spr()
1114 if(tree->c_pars > old_pars) in Speed_Spr()
1807 curr_pars = tree->c_pars; in Spr_Pars()
1888 mixt_tree->best_pars = mixt_tree->c_pars; in Spr_Shuffle()
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H A Dpars.c27 return tree->c_pars; in Pars()
41 tree->c_pars = 0; in Pars()
47 tree->c_pars += tree->site_pars[site] * tree->data->wght[site]; in Pars()
51 return tree->c_pars; in Pars()
473 tree->c_pars = .0; in Pars_At_Given_Edge()
479 tree->c_pars += tree->site_pars[site] * tree->data->wght[site]; in Pars_At_Given_Edge()
481 return tree->c_pars; in Pars_At_Given_Edge()
490 tree->c_pars = Pars(b_fcus,tree); in Update_Pars_At_Given_Edge()
491 return tree->c_pars; in Update_Pars_At_Given_Edge()
998 if(tree->c_pars < tree->best_pars) in Stepwise_Add_Pars()
[all …]
H A Dmixt.c1834 mixt_tree->c_pars = 0; in MIXT_Pars()
1841 mixt_tree->c_pars += tree->next->c_pars; in MIXT_Pars()
1852 tree->c_pars = mixt_tree->c_pars; in MIXT_Pars()
1857 return(mixt_tree->c_pars); in MIXT_Pars()
H A Dio.c2378 PhyML_Fprintf(fp_out,"\n. Parsimony: \t\t\t\t%d",tree->c_pars); in Print_Fp_Out()
3097 PhyML_Printf("\n. (%5d sec) [%5d]",(int)(tree->t_current-tree->t_beg),tree->c_pars); in Print_Pars()
3112 tree->c_lnL,tree->c_pars); in Print_Lk_And_Pars()
H A Dutilities.h810 int c_pars; member
H A Dutilities.c1827 pars_init = tree->c_pars; in NNI_Pars()
1872 tree->c_pars = pars0; in NNI_Pars()
/dports/science/helfem/HelFEM-21461e9/src/atomic/
H A Ddftgrid.h178 …void eval_Fxc(int x_func, const arma::vec & x_pars, int c_func, const arma::vec & c_pars, const ar…
180 …void eval_Fxc(int x_func, const arma::vec & x_pars, int c_func, const arma::vec & c_pars, const ar…
H A Ddftgrid.cpp760 …_Fxc(int x_func, const arma::vec & x_pars, int c_func, const arma::vec & c_pars, const arma::mat &… in eval_Fxc() argument
788 grid.compute_xc(c_func, c_pars); in eval_Fxc()
808 grid.compute_xc(c_func, c_pars); in eval_Fxc()
821 …_Fxc(int x_func, const arma::vec & x_pars, int c_func, const arma::vec & c_pars, const arma::mat &… in eval_Fxc() argument
850 grid.compute_xc(c_func, c_pars); in eval_Fxc()
870 grid.compute_xc(c_func, c_pars); in eval_Fxc()
/dports/science/helfem/HelFEM-21461e9/src/diatomic/
H A Ddftgrid.h180 …void eval_Fxc(int x_func, const arma::vec & x_pars, int c_func, const arma::vec & c_pars, const ar…
182 …void eval_Fxc(int x_func, const arma::vec & x_pars, int c_func, const arma::vec & c_pars, const ar…
H A Ddftgrid.cpp807 …_Fxc(int x_func, const arma::vec & x_pars, int c_func, const arma::vec & c_pars, const arma::mat &… in eval_Fxc() argument
830 grid.compute_xc(c_func, c_pars); in eval_Fxc()
852 …_Fxc(int x_func, const arma::vec & x_pars, int c_func, const arma::vec & c_pars, const arma::mat &… in eval_Fxc() argument
876 grid.compute_xc(c_func, c_pars); in eval_Fxc()
/dports/biology/seaview/seaview/csrc/
H A Dphyml_util.h297 int c_pars; member