/dports/science/helfem/HelFEM-21461e9/src/sadatom/ |
H A D | dftgrid.cpp | 516 …_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 D | dftgrid.h | 159 …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 D | solver.h | 197 arma::vec c_pars; variable
|
H A D | solver.cpp | 663 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 D | simu.c | 91 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 D | spr.c | 588 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() [all …]
|
H A D | pars.c | 27 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 D | mixt.c | 1834 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 D | io.c | 2378 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 D | utilities.h | 810 int c_pars; member
|
H A D | utilities.c | 1827 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 D | dftgrid.h | 178 …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 D | dftgrid.cpp | 760 …_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 D | dftgrid.h | 180 …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 D | dftgrid.cpp | 807 …_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 D | phyml_util.h | 297 int c_pars; member
|