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/dports/science/siesta/siesta-4.1.5/Util/JobList/Examples/Ice/
H A DiceChecks.jobs13 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
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H A DmeshCutoff.jobs12 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
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/dports/science/siesta/siesta-4.1.5/Util/JobList/
H A DREADME30 # 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
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/dports/science/siesta/siesta-4.1.5/Docs/branch-changes/
H A Dfdf.CHANGES2 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
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H A Datom-filt+qconf.CHANGES14 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
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/dports/science/siesta/siesta-4.1.5/Docs/tex/
H A Dfdf.tex12 % 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
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/dports/science/py-phonopy/phonopy-2.11.0/example/Si-siesta/
H A Drun_example.sh63 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 "$kgrid_sc" >> Si.fdf
72 echo "LatticeConstant 1.0 Bohr">> Si.fdf
73 echo "%include supercell-001.fdf" >> Si.fdf
74 siesta < Si.fdf
76 phonopy --siesta -f disp-001/Si.FA -c Si.fdf
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/dports/science/phonopy/phonopy-2.11.0/example/Si-siesta/
H A Drun_example.sh63 echo "$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
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/dports/math/gsl/gsl-2.7/multifit_nlinear/
H A Dtest_fdf.c30 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()
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H A Dfdf.c97 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()
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H A Dfdjac.c32 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()
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/dports/math/gsl/gsl-2.7/multilarge_nlinear/
H A Dtest_fdf.c29 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
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H A Dfdf.c50 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()
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/dports/science/py-phonopy/phonopy-2.11.0/example/Graphene-siesta/
H A Drun_example.sh56 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 "$kgrid_sc" >> Gr.fdf
65 echo "LatticeConstant 1.0 Bohr">> Gr.fdf
66 echo "%include supercell-001.fdf" >> Gr.fdf
69 phonopy --siesta -f disp-001/Gr.FA -c Gr.fdf
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/dports/science/phonopy/phonopy-2.11.0/example/Graphene-siesta/
H A Drun_example.sh56 echo "$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
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/dports/math/gsl/gsl-2.7/multifit/
H A Dtest_nonlinear.c202 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
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H A Dfdjac.c31 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()
/dports/math/gsl/gsl-2.7/doc/examples/
H A Dnlfit4.c103 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()
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H A Dnlfit2.c66 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()
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H A Dnlfit3.c89 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()
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/dports/java/apache-commons-lang/commons-lang-2.6-src/src/test/java/org/apache/commons/lang/time/
H A DFastDateFormatTest.java189 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()
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/dports/astro/gpstk/GPSTk-8.0.0/ext/tests/geomatics/
H A DStatsFilter_T.cpp68 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()
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/dports/games/golddig/golddigC3.1/levs/
H A Dgoldlev01229 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@|
/dports/audio/praat/praat-6.2.03/external/gsl/
H A Dgsl_roots__newton.c48 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()
/dports/math/gsl/gsl-2.7/roots/
H A Dnewton.c48 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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