/dports/science/siesta/siesta-4.1.5/Util/JobList/Examples/Ice/ |
H A D | iceChecks.jobs | 13 defaults.fdf; iceXI.fdf; dzp.fdf; pseudoPBE.fdf 14 defaults.fdf; iceXI.fdf; dzp.fdf; pseudoLMKLL.fdf 15 defaults.fdf; iceXI.fdf; dzp.fdf; pseudoVV.fdf 18 defaults.fdf; iceVIII.fdf; dzp.fdf; pseudoPBE.fdf 19 defaults.fdf; iceVIII.fdf; dzp.fdf; pseudoLMKLL.fdf 20 defaults.fdf; iceVIII.fdf; dzp.fdf; pseudoVV.fdf 26 defaults.fdf; iceXI.fdf; dzp.fdf 27 defaults.fdf; iceXI.fdf; tzp.fdf 28 defaults.fdf; iceXI.fdf; qzp.fdf 31 defaults.fdf; iceVIII.fdf; dzp.fdf [all …]
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H A D | meshCutoff.jobs | 12 defaults.fdf; iceXI.fdf; dzp.fdf; MeshCutoff 100 Ry 13 defaults.fdf; iceXI.fdf; dzp.fdf; MeshCutoff 200 Ry 14 defaults.fdf; iceXI.fdf; dzp.fdf; MeshCutoff 300 Ry 15 defaults.fdf; iceXI.fdf; dzp.fdf; MeshCutoff 500 Ry 16 defaults.fdf; iceXI.fdf; dzp.fdf; MeshCutoff 800 Ry 19 defaults.fdf; iceVIII.fdf; dzp.fdf; MeshCutoff 100 Ry 20 defaults.fdf; iceVIII.fdf; dzp.fdf; MeshCutoff 200 Ry 21 defaults.fdf; iceVIII.fdf; dzp.fdf; MeshCutoff 300 Ry 22 defaults.fdf; iceVIII.fdf; dzp.fdf; MeshCutoff 500 Ry 23 defaults.fdf; iceVIII.fdf; dzp.fdf; MeshCutoff 800 Ry [all …]
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/dports/science/siesta/siesta-4.1.5/Util/JobList/ |
H A D | README | 30 # dzp.fdf, tzp.fdf, and qzp.fdf are basis sets 34 defaults.fdf; molecule.fdf; dzp.fdf 35 defaults.fdf; molecule.fdf; tzp.fdf 36 defaults.fdf; molecule.fdf; qzp.fdf 39 defaults.fdf; solid.fdf; dzp.fdf 40 defaults.fdf; solid.fdf; tzp.fdf 41 defaults.fdf; solid.fdf; qzp.fdf 52 defaults.fdf; molecule.fdf; dzp.fdf; MeshCutoff 800 Ry 55 defaults.fdf; solid.fdf; dzp.fdf; MeshCutoff 100 Ry 56 defaults.fdf; solid.fdf; dzp.fdf; MeshCutoff 200 Ry [all …]
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/dports/science/siesta/siesta-4.1.5/Docs/branch-changes/ |
H A D | fdf.CHANGES | 2 January 10 2014 Alberto Garcia siesta-trunk-448--fdf-4 13 Src/fdf/fdf.F90 17 New list functionality in fdf 19 See Src/fdf/sample.F90 and sample.fdf for examples. 24 Src/fdf/fdf.F90 25 Src/fdf/parse.F90 26 Src/fdf/sample.F90 27 Src/fdf/sample.fdf 31 Nullify fdf buffer pointer at declaration 36 Src/fdf/fdf.F90 [all …]
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H A D | atom-filt+qconf.CHANGES | 14 Tests/OMM_h2o/OMM_h2o.fdf 18 Tests/OMM_si/OMM_si.fdf 73 Util/JobList/Examples/Ice/defaults.fdf 74 Util/JobList/Examples/Ice/dzp.fdf 77 Util/JobList/Examples/Ice/iceVIII.fdf 78 Util/JobList/Examples/Ice/iceXI.fdf 83 Util/JobList/Examples/Ice/pseudoVV.fdf 85 Util/JobList/Examples/Ice/qzp.fdf 86 Util/JobList/Examples/Ice/tzp.fdf 105 Src/fdf/fdf.F90 [all …]
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/dports/science/siesta/siesta-4.1.5/Docs/tex/ |
H A D | fdf.tex | 12 % the fdf-keys. 14 % create the correct fdf mode (for the fdf-environment) 17 % Declare fdf-colors 27 % Short hand command for \fdf*{true}, \fdf*{false} 31 \newwrite\file@fdf 32 \immediate\openout\file@fdf=\jobname.fdf 103 % fdf command 121 % fdf command 139 % fdf command 157 % fdf command [all …]
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/dports/science/py-phonopy/phonopy-2.11.0/example/Si-siesta/ |
H A D | run_example.sh | 63 echo "$head" > Si.fdf 64 echo "$kgrid_uc" >> Si.fdf 65 echo "$atoms_uc" >> Si.fdf 68 cp Si.psf supercell-001.fdf disp-001 70 echo "$head" > Si.fdf 71 echo "$kgrid_sc" >> Si.fdf 72 echo "LatticeConstant 1.0 Bohr">> Si.fdf 73 echo "%include supercell-001.fdf" >> Si.fdf 74 siesta < Si.fdf 76 phonopy --siesta -f disp-001/Si.FA -c Si.fdf [all …]
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/dports/science/phonopy/phonopy-2.11.0/example/Si-siesta/ |
H A D | run_example.sh | 63 echo "$head" > Si.fdf 64 echo "$kgrid_uc" >> Si.fdf 65 echo "$atoms_uc" >> Si.fdf 68 cp Si.psf supercell-001.fdf disp-001 70 echo "$head" > Si.fdf 71 echo "$kgrid_sc" >> Si.fdf 72 echo "LatticeConstant 1.0 Bohr">> Si.fdf 73 echo "%include supercell-001.fdf" >> Si.fdf 74 siesta < Si.fdf 76 phonopy --siesta -f disp-001/Si.FA -c Si.fdf [all …]
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/dports/math/gsl/gsl-2.7/multifit_nlinear/ |
H A D | test_fdf.c | 30 gsl_multifit_nlinear_fdf *fdf; member 206 fdf.df = problem->fdf->df; in test_fdf_main() 212 problem->fdf->df = fdf.df; in test_fdf_main() 219 fdf.fvv = problem->fdf->fvv; in test_fdf_main() 225 problem->fdf->fvv = fdf.fvv; in test_fdf_main() 251 gsl_multifit_nlinear_fdf *fdf = problem->fdf; in test_fdf() local 252 const size_t n = fdf->n; in test_fdf() 253 const size_t p = fdf->p; in test_fdf() 335 gsl_multifit_nlinear_fdf *fdf = problem->fdf; in test_fdf_checksol() local 348 const size_t n = fdf->n; in test_fdf_checksol() [all …]
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H A D | fdf.c | 97 w->fdf = NULL; in gsl_multifit_nlinear_alloc() 167 if (n != fdf->n) in gsl_multifit_nlinear_winit() 184 fdf->nevalf = 0; in gsl_multifit_nlinear_winit() 185 fdf->nevaldf = 0; in gsl_multifit_nlinear_winit() 186 fdf->nevalfvv = 0; in gsl_multifit_nlinear_winit() 188 w->fdf = fdf; in gsl_multifit_nlinear_winit() 389 int s = ((*((fdf)->f)) (x, fdf->params, y)); in gsl_multifit_nlinear_eval_f() 391 ++(fdf->nevalf); in gsl_multifit_nlinear_eval_f() 431 if (fdf->df) in gsl_multifit_nlinear_eval_df() 434 status = ((*((fdf)->df)) (x, fdf->params, df)); in gsl_multifit_nlinear_eval_df() [all …]
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H A D | fdjac.c | 32 gsl_multifit_nlinear_fdf *fdf, 59 for (j = 0; j < fdf->p; ++j) in forward_jac() 73 status += gsl_multifit_nlinear_eval_f (fdf, x, wts, &v.vector); in forward_jac() 81 for (i = 0; i < fdf->n; ++i) in forward_jac() 115 for (j = 0; j < fdf->p; ++j) in center_jac() 129 status += gsl_multifit_nlinear_eval_f (fdf, x, wts, &v.vector); in center_jac() 136 status += gsl_multifit_nlinear_eval_f (fdf, x, wts, work); in center_jac() 144 for (i = 0; i < fdf->n; ++i) in center_jac() 175 gsl_multifit_nlinear_fdf *fdf, in gsl_multifit_nlinear_df() argument 182 status = forward_jac(h, x, wts, fdf, f, J); in gsl_multifit_nlinear_df() [all …]
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/dports/math/gsl/gsl-2.7/multilarge_nlinear/ |
H A D | test_fdf.c | 29 gsl_multilarge_nlinear_fdf *fdf; member 204 fdf.df = problem->fdf->df; in test_fdf_main() 205 problem->fdf->df = NULL; in test_fdf_main() 210 problem->fdf->df = fdf.df; in test_fdf_main() 217 fdf.fvv = problem->fdf->fvv; in test_fdf_main() 223 problem->fdf->fvv = fdf.fvv; in test_fdf_main() 263 gsl_multilarge_nlinear_fdf *fdf = problem->fdf; in test_fdf() local 264 const size_t n = fdf->n; in test_fdf() 265 const size_t p = fdf->p; in test_fdf() 339 gsl_multilarge_nlinear_fdf *fdf = problem->fdf; in test_fdf_checksol() local [all …]
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H A D | fdf.c | 50 w->fdf = NULL; in gsl_multilarge_nlinear_alloc() 181 if (n != fdf->n) in gsl_multilarge_nlinear_winit() 198 fdf->nevalf = 0; in gsl_multilarge_nlinear_winit() 199 fdf->nevaldfu = 0; in gsl_multilarge_nlinear_winit() 200 fdf->nevaldf2 = 0; in gsl_multilarge_nlinear_winit() 203 w->fdf = fdf; in gsl_multilarge_nlinear_winit() 422 int s = ((*((fdf)->f)) (x, fdf->params, y)); in gsl_multilarge_nlinear_eval_f() 424 ++(fdf->nevalf); in gsl_multilarge_nlinear_eval_f() 491 if (fdf->df) in gsl_multilarge_nlinear_eval_df() 494 status = ((*((fdf)->df)) (TransJ, x, u, fdf->params, v, JTJ)); in gsl_multilarge_nlinear_eval_df() [all …]
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/dports/science/py-phonopy/phonopy-2.11.0/example/Graphene-siesta/ |
H A D | run_example.sh | 56 echo "$head" > Gr.fdf 57 echo "$kgrid_uc" >> Gr.fdf 58 echo "$atoms_uc" >> Gr.fdf 59 phonopy --siesta -d --dim="3 3 1" -c Gr.fdf --amplitude=0.02 61 cp C.psf supercell-001.fdf disp-001 63 echo "$head" > Gr.fdf 64 echo "$kgrid_sc" >> Gr.fdf 65 echo "LatticeConstant 1.0 Bohr">> Gr.fdf 66 echo "%include supercell-001.fdf" >> Gr.fdf 69 phonopy --siesta -f disp-001/Gr.FA -c Gr.fdf [all …]
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/dports/science/phonopy/phonopy-2.11.0/example/Graphene-siesta/ |
H A D | run_example.sh | 56 echo "$head" > Gr.fdf 57 echo "$kgrid_uc" >> Gr.fdf 58 echo "$atoms_uc" >> Gr.fdf 59 phonopy --siesta -d --dim="3 3 1" -c Gr.fdf --amplitude=0.02 61 cp C.psf supercell-001.fdf disp-001 63 echo "$head" > Gr.fdf 64 echo "$kgrid_sc" >> Gr.fdf 65 echo "LatticeConstant 1.0 Bohr">> Gr.fdf 66 echo "%include supercell-001.fdf" >> Gr.fdf 69 phonopy --siesta -f disp-001/Gr.FA -c Gr.fdf [all …]
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/dports/math/gsl/gsl-2.7/multifit/ |
H A D | test_nonlinear.c | 202 fdf.df = problem->fdf->df; in test_nonlinear() 208 problem->fdf->df = fdf.df; in test_nonlinear() 237 fdf.df = problem->fdf->df; in test_nonlinear() 243 problem->fdf->df = fdf.df; in test_nonlinear() 272 fdf.df = problem->fdf->df; in test_nonlinear() 278 problem->fdf->df = fdf.df; in test_nonlinear() 337 gsl_multifit_function_fdf *fdf = problem->fdf; in test_fdf() local 338 const size_t n = fdf->n; in test_fdf() 339 const size_t p = fdf->p; in test_fdf() 426 gsl_multifit_function_fdf *fdf = problem->fdf; in test_fdfridge() local [all …]
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H A D | fdjac.c | 31 gsl_multifit_function_fdf *fdf, 49 gsl_multifit_function_fdf *fdf, const gsl_vector *f, gsl_matrix *J) in fdjac() argument 57 for (j = 0; j < fdf->p; ++j) in fdjac() 71 status += gsl_multifit_eval_wf (fdf, x, wts, &v.vector); in fdjac() 79 for (i = 0; i < fdf->n; ++i) in fdjac() 106 gsl_multifit_function_fdf *fdf, in gsl_multifit_fdfsolver_dif_df() argument 109 return fdjac(x, wts, fdf, f, J); in gsl_multifit_fdfsolver_dif_df() 129 gsl_multifit_function_fdf *fdf, in gsl_multifit_fdfsolver_dif_fdf() argument 134 status = gsl_multifit_eval_wf(fdf, x, NULL, f); in gsl_multifit_fdfsolver_dif_fdf() 138 status = fdjac(x, NULL, fdf, f, J); in gsl_multifit_fdfsolver_dif_fdf()
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/dports/math/gsl/gsl-2.7/doc/examples/ |
H A D | nlfit4.c | 103 const size_t n = fdf->n; in solve_system() 140 fdf->nevalf, in solve_system() 141 fdf->nevaldfu, in solve_system() 142 fdf->nevaldf2, in solve_system() 143 fdf->nevalfvv, in solve_system() 174 fdf.f = penalty_f; in main() 175 fdf.df = penalty_df; in main() 176 fdf.fvv = penalty_fvv; in main() 177 fdf.n = n; in main() 178 fdf.p = p; in main() [all …]
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H A D | nlfit2.c | 66 const size_t n = fdf->n; in solve_system() 67 const size_t p = fdf->p; in solve_system() 115 gsl_multifit_nlinear_fdf fdf; in main() local 142 fdf.f = func_f; in main() 143 fdf.df = func_df; in main() 144 fdf.fvv = func_fvv; in main() 145 fdf.n = n; in main() 146 fdf.p = p; in main() 147 fdf.params = NULL; in main() 155 solve_system(x, &fdf, &fdf_params); in main() [all …]
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H A D | nlfit3.c | 89 const size_t n = fdf->n; in solve_system() 90 const size_t p = fdf->p; in solve_system() 122 fdf->nevalf, in solve_system() 123 fdf->nevaldf, in solve_system() 142 gsl_multifit_nlinear_fdf fdf; in main() local 175 fdf.f = func_f; in main() 176 fdf.df = func_df; in main() 177 fdf.fvv = func_fvv; in main() 178 fdf.n = n; in main() 179 fdf.p = p; in main() [all …]
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/dports/java/apache-commons-lang/commons-lang-2.6-src/src/test/java/org/apache/commons/lang/time/ |
H A D | FastDateFormatTest.java | 189 FastDateFormat fdf = null; in testFormat() local 209 fdf = FastDateFormat.getInstance("Z"); in testFormat() 210 assertEquals("-0500", fdf.format(date1)); in testFormat() 211 assertEquals("-0500", fdf.format(cal1)); in testFormat() 214 fdf = FastDateFormat.getInstance("Z"); in testFormat() 215 assertEquals("-0400", fdf.format(date2)); in testFormat() 216 assertEquals("-0400", fdf.format(cal2)); in testFormat() 219 fdf = FastDateFormat.getInstance("ZZ"); in testFormat() 224 fdf = FastDateFormat.getInstance("ZZ"); in testFormat() 251 assertEquals("2/3/04", fdf.format(cal)); in testShortDateStyleWithLocales() [all …]
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/dports/astro/gpstk/GPSTk-8.0.0/ext/tests/geomatics/ |
H A D | StatsFilter_T.cpp | 68 fdf.setw(7); in testFirstDiff() 69 fdf.setprecision(4); in testFirstDiff() 70 fdf.setLimit(ratlimit); in testFirstDiff() 71 iret = fdf.filter(); in testFirstDiff() 76 iret = fdf.analyze(); in testFirstDiff() 81 fdf.getStats(fdf.results[i]); in testFirstDiff() 179 fdf.setw(7); in testFDiff() 180 fdf.setprecision(4); in testFDiff() 182 fdf.setWidth(4); in testFDiff() 183 fdf.setLimit(0.8); in testFDiff() [all …]
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/dports/games/golddig/golddigC3.1/levs/ |
H A D | goldlev012 | 29 dfdfd fdfdf #j#fd<fd>d>>>f>>ff<fk<fdf |#@#j 31 dfdf<<<<<<<<fdf #j#fdff>>>fd<><fdff>kff>f |@#j @ 32 df>>>>>>>>>>fdf #j#fdf|<<|<|>f>fdff|>ffd |@|$$$ @ 33 df<<<<<<<<<<<<f #j#fdf<<<<d<<<fddfffd<f< |@@@@@@@@@@ 34 d >> f #j#f>>d>d|>>|ff<<d|fdf<|k@ | - 36 b b b |#j#fdf>fdfdfdkf<f<ff>fdf |#- # @ @| 37 $$yyyyyyyyyyyyyyy#|#j#fdf<<<fdf|>>>>>|fd<<f |# # $$$-t @s@|
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/dports/audio/praat/praat-6.2.03/external/gsl/ |
H A D | gsl_roots__newton.c | 48 static int newton_init (void * vstate, gsl_function_fdf * fdf, double * root); 49 static int newton_iterate (void * vstate, gsl_function_fdf * fdf, double * root); 52 newton_init (void * vstate, gsl_function_fdf * fdf, double * root) in newton_init() argument 58 state->f = GSL_FN_FDF_EVAL_F (fdf, x); in newton_init() 59 state->df = GSL_FN_FDF_EVAL_DF (fdf, x) ; in newton_init() 66 newton_iterate (void * vstate, gsl_function_fdf * fdf, double * root) in newton_iterate() argument 81 GSL_FN_FDF_EVAL_F_DF(fdf, root_new, &f_new, &df_new); in newton_iterate()
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/dports/math/gsl/gsl-2.7/roots/ |
H A D | newton.c | 48 static int newton_init (void * vstate, gsl_function_fdf * fdf, double * root); 49 static int newton_iterate (void * vstate, gsl_function_fdf * fdf, double * root); 52 newton_init (void * vstate, gsl_function_fdf * fdf, double * root) in newton_init() argument 58 state->f = GSL_FN_FDF_EVAL_F (fdf, x); in newton_init() 59 state->df = GSL_FN_FDF_EVAL_DF (fdf, x) ; in newton_init() 66 newton_iterate (void * vstate, gsl_function_fdf * fdf, double * root) in newton_iterate() argument 81 GSL_FN_FDF_EVAL_F_DF(fdf, root_new, &f_new, &df_new); in newton_iterate()
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