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Searched refs:assert_close (Results 1 – 25 of 33) sorted by relevance

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/dports/science/xtb/xtb-6.4.1/TESTSUITE/
H A Dcoordinationnumber.f9074 call assert_close(cn( 1), 1.0644889257925_wp, thr)
75 call assert_close(cn( 2), 1.0631767469669_wp, thr)
76 call assert_close(cn(11), 3.1006970695816_wp, thr)
77 call assert_close(cn(18), 1.0075732171735_wp, thr)
78 call assert_close(cn(19), 1.0059732047433_wp, thr)
79 call assert_close(cn(26), 1.0076129647756_wp, thr)
85 call assert_close(cn( 4), 1.0017771035280_wp, thr)
86 call assert_close(cn( 8), 3.9823122257845_wp, thr)
87 call assert_close(cn(12), 3.9825267700108_wp, thr)
88 call assert_close(cn(14), 2.9944763199487_wp, thr)
[all …]
H A Deeq_model.f9053 call assert_close(cn(1),3.9364408722599_wp,thr)
54 call assert_close(cn(6),1.9734817313511_wp,thr)
66 call assert_close(es,-0.10559262715710E-01_wp,thr)
74 call assert_close(sum(q),0.0_wp, thr)
75 call assert_close(q(1),0.21873929670215_wp,thr)
100 call assert_close(es,-0.18723100944150E-01_wp,thr)
108 call assert_close(sum(q),0.0_wp,thr)
202 call assert_close(es,-0.64149462344256E-01_wp,thr)
210 call assert_close(sum(q),0.0_wp, thr)
237 call assert_close(es,-0.73041696453862E-01_wp,thr)
[all …]
H A Deeq.f9065 call assert_close(cn(1),1.9895544848535_wp,thr)
66 call assert_close(cn(2),cn(3), thr)
67 call assert_close(cn(1),cn(2)+cn(3), thr)
86 call assert_close(sum(q),0.0_wp, thr)
87 call assert_close(q(1),-0.59582744684480_wp,thr)
186 call assert_close(cn(2),3.6864725130236_wp,thr)
187 call assert_close(cn(5),1.0523558225297_wp,thr)
188 call assert_close(cn(6),1.1699488478421_wp,thr)
295 call assert_close(cn(2),3.6735104771649_wp,thr)
296 call assert_close(cn(5),1.0517307940776_wp,thr)
[all …]
H A Dthermo.f9047 call assert_close(rot(1), .226251131473004_wp, thr)
48 call assert_close(rot(2), .226266337664493_wp, thr)
49 call assert_close(rot(3), 7.01216792608729_wp, thr)
55 call assert_close(rot1(1), .226251131473004_wp, thr2)
56 call assert_close(rot1(2), .226266337664493_wp, thr2)
57 call assert_close(rot1(3), 7.01216792608729_wp, thr2)
81 call assert_close(rot(1), .19017218374861_wp, thr)
82 call assert_close(rot(2), .19263614502269_wp, thr)
83 call assert_close(rot(3), 4.7581644454539_wp, thr)
89 call assert_close(rot1(1), .19017218374861_wp, thr2)
[all …]
H A Dpeeq.f90120 call assert_close(energy,-7.3570001012578_wp,thr)
130 call assert_close(res%e_elec,-8.303090012925_wp,thr)
131 call assert_close(res%e_es, -0.126523327000_wp,thr)
132 call assert_close(res%e_disp,-0.004101334765_wp,thr)
133 call assert_close(res%e_rep, 1.076714573432_wp,thr)
134 call assert_close(res%e_xb, 0.000000000000_wp,thr)
144 call assert_close(energy,-7.3514275392244_wp,thr)
235 call assert_close(hl_gap, 4.9685235017906_wp,thr)
236 call assert_close(energy,-8.4863996084661_wp,thr)
344 call assert_close(hl_gap, 3.2452476555284_wp,thr)
[all …]
H A Dgeometry_reader.f9040 call assert_close(mol%cellpar(1),8.7413053236641_wp,thr)
41 call assert_close(mol%cellpar(4),1.5707963267949_wp,thr)
44 call assert_close(mol%abc(1,3),0.29843937068984_wp,thr)
45 call assert_close(mol%abc(2,6),0.28321754549582_wp,thr)
46 call assert_close(mol%abc(3,1),0.10160624337938_wp,thr)
48 call assert_close(mol%xyz(2,4),7.4866709068338_wp,thr)
49 call assert_close(mol%xyz(1,5),6.3156134163815_wp,thr)
50 call assert_close(mol%xyz(3,2),3.3797565299764_wp,thr)
96 call assert_close(mol%xyz(1,2), .93335227594625_wp,thr)
257 call assert_close(mol%cellpar(1),mol%cellpar(2),thr)
[all …]
H A Dgfn2.f90107 call assert_close(wfn%q(2),0.28158903353422_wp,thr2)
108 call assert_close(wfn%q(3),wfn%q(2),thr2)
119 call assert_close(wfn%focc(wfn%ihomo),2.0_wp,thr2)
185 call assert_close(hl_gap, 7.0005867526665_wp,thr)
186 call assert_close(energy,-8.3824793849585_wp,thr)
264 call assert_close(energy,-22.002501380096_wp,thr)
340 call assert_close(energy,-13.027106170796_wp,thr)
421 call assert_close(hl_gap, 12.391144584178_wp,thr)
422 call assert_close(energy,-20.323978512117_wp,thr)
452 call assert_close(hl_gap, 12.718203165741_wp,thr)
[all …]
H A Dgfn1.f90102 call assert_close(wfn%q(2),0.33430923478162_wp,thr2)
103 call assert_close(wfn%q(3),wfn%q(2),thr2)
111 call assert_close(wfn%focc(wfn%ihomo),2.0_wp,thr2)
177 call assert_close(hl_gap, 5.6067613073468_wp,thr)
178 call assert_close(energy,-8.4156335928615_wp,thr)
253 call assert_close(energy,-14.215790820910_wp,thr)
332 call assert_close(energy,-23.113490914998_wp,thr)
360 call assert_close(hl_gap, 8.7253450652232_wp,thr)
361 call assert_close(energy,-11.559896105984_wp,thr)
385 call assert_close(hl_gap, 8.9183046283326_wp,thr)
[all …]
H A Dpbc_tools.f9017 call assert_close(cellpar(1),dlat(1,1),thr)
18 call assert_close(dlat(1,3),-13.648544412579_wp,thr)
19 call assert_close(dlat(3,3), 26.878966813429_wp,thr)
22 call assert_close(rlat(1,1), 0.69053343077018_wp,thr)
27 call assert_close(volume,1292.0766773144_wp,thr)
30 call assert_close(cpar(1),cpar(2),thr)
31 call assert_close(cpar(3),7.2993338808807_wp,thr)
32 call assert_close(cpar(4),1.0471975511966_wp,thr)
40 call assert_close(volume, 275.00126402469_wp,thr)
43 call assert_close(center(1),2.9799405783945_wp,thr)
[all …]
H A Dtbdef_molecule.f9036 call assert_close(mol%dist(1,1),8.7413053236641_wp,thr)
37 call assert_close(mol%dist(3,6),3.9480992656526_wp,thr)
38 call assert_close(mol%dist(2,3),2.9411012169549_wp,thr)
39 call assert_close(mol%dist(1,4),2.8120981086302_wp,thr)
76 call assert_close(center(1),-1.2501984620000_wp,thr)
77 call assert_close(center(2), .18174541428571_wp,thr)
78 call assert_close(center(3), 0.0000000000000_wp,thr)
81 call assert_close(mol%xyz(2,1),.61319025771429_wp,thr)
82 call assert_close(mol%xyz(1,3),1.5797166910000_wp,thr)
83 call assert_close(mol%xyz(3,6),1.6600108990000_wp,thr)
[all …]
H A Dgfnff.f9072 call assert_close(res_gff%e_total,-0.76480130317838_wp,thr)
155 call assert_close(res_gff%e_total,-0.949706677118_wp,thr)
156 call assert_close(res_gff%gnorm, 0.001152720923_wp,thr)
157 call assert_close(res_gff%e_bond, -0.856707643513_wp,thr)
158 call assert_close(res_gff%e_angl, 0.000579711773_wp,thr)
159 call assert_close(res_gff%e_tors, 0.000000008811_wp,thr)
333 call assert_close(energy, ref_energies(iMol), thr)
417 call assert_close(energy, ref_energies(iMol), thr)
495 call assert_close(energy, ref_energies(iMol), thr)
569 call assert_close(energy, ref_energies(iMol), thr)
[all …]
H A Dcoulomb.f9079 call assert_close(jmat(ii,ii), 0.0_wp, thr)
81 call assert_close(jmat(jj,ii), jmat(ii,jj), thr)
95 call assert_close(energy, -0.16130778864155_wp, thr)
241 call assert_close(coulomb%gCutoff, 1.4680064_wp, thr)
242 call assert_close(coulomb%alpha, 0.2097152_wp, thr)
269 call assert_close(energy,-0.19871381077095_wp, thr)
531 call assert_close(energy, 0.15670711466457_wp, thr)
681 call assert_close(coulomb%alpha, 0.2097152_wp, thr)
707 call assert_close(energy, 0.10334568151034_wp, thr)
1162 call assert_close(coulomb%alpha, 0.2097152_wp, thr)
[all …]
H A Dgfn0.f90110 call assert_close(res%e_total,-15.271927490420_wp,thr)
114 call assert_close(res%e_elec,-15.238855850629_wp,thr)
117 call assert_close(res%e_disp, -0.001331408911_wp,thr)
118 call assert_close(res%e_rep, 0.071830283799_wp,thr)
119 call assert_close(res%e_xb, -0.012481673391_wp,thr)
188 call assert_close(hl_gap, 5.5384029314207_wp,thr)
189 call assert_close(energy,-8.6908532561691_wp,thr)
280 call assert_close(hl_gap, 3.1192454818777_wp,thr)
281 call assert_close(energy,-40.908850360158_wp,thr)
372 call assert_close(hl_gap, ref_hlgaps(iMol), thr)
[all …]
H A Ddftd3.f90108 call assert_close(energy, -0.70956131647955E-01_wp, thr)
115 call assert_close(sigma(1,1), 0.75334721374086E-01_wp, thr)
116 call assert_close(sigma(2,1), -0.62270444669135E-05_wp, thr)
117 call assert_close(sigma(3,2), 0.23549303643349E-03_wp, thr)
300 call assert_close(energy, -0.70957467834973E-01_wp, thr)
307 call assert_close(sigma(1,1), 0.75336316933972E-01_wp, thr)
308 call assert_close(sigma(2,1), -0.61981535450274E-05_wp, thr)
309 call assert_close(sigma(3,2), 0.23588761667468E-03_wp, thr)
488 call assert_close(energy, 0.82278010088603E-02_wp, thr)
495 call assert_close(sigma(1,1), -0.55966219802469E-02_wp, thr)
[all …]
H A Ddftd4.f90129 call assert_close(energy, -0.73670210332109E-01_wp, thr)
136 call assert_close(sigma(1,1), 0.80650010267247E-01_wp, thr)
137 call assert_close(sigma(2,1), -0.20505317558255E-03_wp, thr)
138 call assert_close(sigma(3,2), 0.21880502391427E-02_wp, thr)
346 call assert_close(energy, -0.73670210332109E-01_wp, thr)
353 call assert_close(sigma(1,1), 0.80650010267246E-01_wp, thr)
354 call assert_close(sigma(2,1), -0.20505317558255E-03_wp, thr)
355 call assert_close(sigma(3,2), 0.21880502391427E-02_wp, thr)
549 call assert_close(energy, 0.44030151321408E-03_wp, thr)
556 call assert_close(sigma(1,1), -0.18373605865520E-03_wp, thr)
[all …]
H A Drepulsion.f9072 call assert_close(energy, 0.49222837261241_wp, thr)
88 call assert_close(gradient(jj, ii), (er - el)*step2, thr)
109 call assert_close(sigma(jj, ii), (er - el)*step2, thr2)
213 call assert_close(energy, 0.58472111816325_wp, thr)
221 call assert_close(energy, 0.58472111816325_wp, thr)
237 call assert_close(gradient(jj, ii), (er - el)*step2, thr)
261 call assert_close(sigma(jj, ii), (er - el)*step2, thr2)
/dports/graphics/py-imageio/imageio-2.9.0/tests/
H A Dtest_freeimage.py76 def assert_close(im1, im2, tol=0.0): function
237 assert_close(im1, imageio.imread(fname))
239 assert_close(im2, imageio.imread(fname))
243 assert_close(im1, imageio.imread(fname))
245 assert_close(im2, imageio.imread(fname))
249 assert_close(im1, imageio.imread(fname))
251 assert_close(im1, imageio.imread(fname)) # scaled
255 assert_close(im1, imageio.imread(fname))
257 assert_close(im1, imageio.imread(fname)) # scaled
400 assert_close(im1, im2, 1.1)
[all …]
/dports/math/py-statsmodels/statsmodels-0.13.1/statsmodels/othermod/tests/
H A Dtest_beta.py63 def assert_close(a, b, eps): function
85 assert_close(rslt.params[:-1], expected_income_mean['Estimate'], 1e-3)
86 assert_close(rslt.tvalues[:-1], expected_income_mean['zvalue'], 0.1)
87 assert_close(rslt.pvalues[:-1], expected_income_mean['Pr(>|z|)'], 1e-3)
93 assert_close(np.exp(rslt.params[-1:]),
97 assert_close(rslt.pvalues[-1:],
102 assert_close(rslt.params[:-2],
104 assert_close(rslt.tvalues[:-2],
106 assert_close(rslt.pvalues[:-2],
126 assert_close(rslt.params, self.meth_fit.params, 1e-10)
/dports/math/scilab/scilab-6.1.1/scilab/modules/polynomials/tests/nonreg_tests/
H A Dbug_7101.dia.ref112 // assert_close --
119 function flag = assert_close ( computed, expected, epsilon )
161 assert_close ( r, e, 1.e-6 );
186 assert_close ( r, e, 1.e-6 );
211 assert_close ( r, e, 1.e-6 );
239 assert_close ( r, e, 1.e-6 );
H A Dbug_7101.tst118 // assert_close --
125 function flag = assert_close ( computed, expected, epsilon )
169 assert_close ( r, e, 1.e-6 );
195 assert_close ( r, e, 1.e-6 );
221 assert_close ( r, e, 1.e-6 );
250 assert_close ( r, e, 1.e-6 );
/dports/science/py-scipy/scipy-1.7.1/scipy/optimize/tests/
H A Dtest_nonlin.py295 def assert_close(a, b, msg): function
317 assert_close(Gv, Gv2, 'solve vs array')
321 assert_close(Gv, Gv2, 'rsolve vs array')
325 assert_close(Jv, Jv2, 'dot vs array')
329 assert_close(Jv, Jv2, 'rmatvec vs array')
334 assert_close(Jv, Jv2, 'dot vs solve')
339 assert_close(Jv, Jv2, 'rmatvec vs rsolve')
/dports/databases/py-sqlite3/Python-3.8.12/Lib/
H A Dstatistics.py1151 def assert_close(G1, G2): function
1161 assert_close(X + s, S)
1164 assert_close(X - s, S)
1167 assert_close(X * s, S)
1170 assert_close(X / s, S)
1174 assert_close(X + Y, S)
1178 assert_close(X - Y, S)
/dports/databases/py-gdbm/Python-3.8.12/Lib/
H A Dstatistics.py1151 def assert_close(G1, G2): function
1161 assert_close(X + s, S)
1164 assert_close(X - s, S)
1167 assert_close(X * s, S)
1170 assert_close(X / s, S)
1174 assert_close(X + Y, S)
1178 assert_close(X - Y, S)
/dports/lang/python38/Python-3.8.12/Lib/
H A Dstatistics.py1151 def assert_close(G1, G2): function
1161 assert_close(X + s, S)
1164 assert_close(X - s, S)
1167 assert_close(X * s, S)
1170 assert_close(X / s, S)
1174 assert_close(X + Y, S)
1178 assert_close(X - Y, S)
/dports/lang/python-tools/Python-3.8.12/Lib/
H A Dstatistics.py1151 def assert_close(G1, G2): function
1161 assert_close(X + s, S)
1164 assert_close(X - s, S)
1167 assert_close(X * s, S)
1170 assert_close(X / s, S)
1174 assert_close(X + Y, S)
1178 assert_close(X - Y, S)

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