/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/u_sodft/ |
H A D | u_sodft.nw | 102 convergence gradient 1E-05 118 convergence gradient 1E-05 133 convergence gradient 1E-05 149 convergence gradient 1E-05 166 convergence gradient 1E-05 182 convergence gradient 1E-05 197 convergence gradient 1E-05 213 convergence gradient 1E-05 232 convergence gradient 1E-05 249 convergence gradient 1E-05 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/u_sodft/ |
H A D | u_sodft.nw | 102 convergence gradient 1E-05 118 convergence gradient 1E-05 133 convergence gradient 1E-05 149 convergence gradient 1E-05 166 convergence gradient 1E-05 182 convergence gradient 1E-05 197 convergence gradient 1E-05 213 convergence gradient 1E-05 232 convergence gradient 1E-05 249 convergence gradient 1E-05 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/hess_cr2/ |
H A D | hess_cr2.nw | 39 convergence lshift 0.22 74 convergence energy 1d-7 lshift 0.4 86 convergence energy 1d-7 lshift 0.4 99 convergence energy 1.0e-7 lshift 0.4 112 convergence energy 1.0e-7 lshift 0.4 125 convergence energy 1.0e-7 lshift 0.4 138 convergence energy 1.0e-7 lshift 0.4 151 convergence energy 1.0e-7 lshift 0.4 164 convergence energy 1.0e-7 lshift 0.4 177 convergence energy 1.0e-7 lshift 0.4 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/hess_cr2/ |
H A D | hess_cr2.nw | 39 convergence lshift 0.22 74 convergence energy 1d-7 lshift 0.4 86 convergence energy 1d-7 lshift 0.4 99 convergence energy 1.0e-7 lshift 0.4 112 convergence energy 1.0e-7 lshift 0.4 125 convergence energy 1.0e-7 lshift 0.4 138 convergence energy 1.0e-7 lshift 0.4 151 convergence energy 1.0e-7 lshift 0.4 164 convergence energy 1.0e-7 lshift 0.4 177 convergence energy 1.0e-7 lshift 0.4 [all …]
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/dports/science/octopus/octopus-10.5/testsuite/optimal_control/ |
H A D | 04-box.test | 21 # Then, run the optimization for 5 iterations with ZBR98 scheme and compare the convergence. 24 match ; J1 1st iteration ; GREPFIELD(opt-control/convergence, ' 1 ', 3) ; 0.64176805 25 match ; J1 1st iteration ; GREPFIELD(opt-control/convergence, ' 2 ', 3) ; 0.75946599 26 match ; J1 1st iteration ; GREPFIELD(opt-control/convergence, ' 5 ', 3) ; 0.86792295 29 # Then, run the optimization for 5 iterations with a ZR98 scheme and compare the convergence. 31 match ; J1 1st iteration ; GREPFIELD(opt-control/convergence, ' 1 ', 3) ; 0.62153274 32 match ; J1 2nd iteration ; GREPFIELD(opt-control/convergence, ' 2 ', 3) ; 0.73944701 33 match ; J1 5th iteration ; GREPFIELD(opt-control/convergence, ' 5 ', 3) ; 0.87256437 38 match ; J1 1st iteration ; GREPFIELD(opt-control/convergence, ' 1 ', 3) ; 0.71123477 39 match ; J1 2nd iteration ; GREPFIELD(opt-control/convergence, ' 2 ', 3) ; 0.85694196 [all …]
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/dports/science/py-molmod/molmod-1.4.8/molmod/test/ |
H A D | test_minimizer.py | 105 x_init, fun, search_direction, line_search, convergence, stop_loss, 117 x_init, fun, search_direction, line_search, convergence, stop_loss, 129 x_init, fun, search_direction, line_search, convergence, stop_loss, 141 x_init, fun, search_direction, line_search, convergence, stop_loss, 153 x_init, fun, search_direction, line_search, convergence, stop_loss, 279 convergence = ConvergenceCondition(grad_rms=1e-6) 292 convergence = ConvergenceCondition(grad_rms=1e-6) 305 convergence = ConvergenceCondition(grad_rms=1e-6) 318 convergence = ConvergenceCondition(grad_rms=1e-6) 341 convergence = ConvergenceCondition(grad_rms=1e-6) [all …]
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/dports/science/py-gpaw/gpaw-21.6.0/gpaw/test/ |
H A D | test_fixocc.py | 17 convergence = {'energy': 0.01, 'eigenstates': 0.001, 'density': 0.01} 23 convergence=convergence, 30 convergence=convergence, 41 convergence=convergence, 48 convergence=convergence,
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/dports/science/R-cran-kernlab/kernlab/R/ |
H A D | ranking.R | 14 convergence = FALSE, argument 94 if(convergence) 97 convergence <- matrix() 99 return(new("ranking", .Data=res, convergence = convergence, edgegraph = edgegraph)) 109 convergence = FALSE, argument 146 if(convergence) 149 convergence <- matrix() 151 return(new("ranking", .Data=res, convergence = convergence)) 213 if(convergence) 216 convergence <- matrix() [all …]
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/dports/science/PETSc/petsc-3.14.1/src/dm/impls/plex/tests/output/ |
H A D | ex3_p2_3d_0.out | 3 Function convergence rate at refinement 0: 2.96 4 Derivative convergence rate at refinement 0: 1.93 5 Function convergence rate at refinement 1: 2.96 6 Derivative convergence rate at refinement 1: 1.97 7 Function convergence rate at refinement 2: 2.99 8 Derivative convergence rate at refinement 2: 1.99
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H A D | ex3_p2_3d_3.out | 3 Function convergence rate at coarsening 0: 1.3 4 Derivative convergence rate at coarsening 0: 0.81 5 Function convergence rate at coarsening 1: 1.1 6 Derivative convergence rate at coarsening 1: 0.78 7 Function convergence rate at coarsening 2: 1.3 8 Derivative convergence rate at coarsening 2: 0.79
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H A D | ex3_q1_2d_plex_0.out | 3 Function convergence rate at refinement 0: 1.92 4 Derivative convergence rate at refinement 0: 0.93 5 Function convergence rate at refinement 1: 1.98 6 Derivative convergence rate at refinement 1: 0.98 7 Function convergence rate at refinement 2: 2.00 8 Derivative convergence rate at refinement 2: 1.00
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H A D | ex3_q2_2d_3.out | 3 Function convergence rate at refinement 0: 2.1 4 Derivative convergence rate at refinement 0: 0.66 5 Function convergence rate at refinement 1: 2.1 6 Derivative convergence rate at refinement 1: 0.88 7 Function convergence rate at refinement 2: 2 8 Derivative convergence rate at refinement 2: 0.95
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H A D | ex3_q2_2d_da_0.out | 3 Function convergence rate at refinement 0: 1.7 4 Derivative convergence rate at refinement 0: 1.2 5 Function convergence rate at refinement 1: 2.2 6 Derivative convergence rate at refinement 1: 1.5 7 Function convergence rate at refinement 2: 2.5 8 Derivative convergence rate at refinement 2: 1.7
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H A D | ex3_bdm1_2d_0.out | 3 Function convergence rate at refinement 0: 1.92 4 Derivative convergence rate at refinement 0: 0.94 5 Function convergence rate at refinement 1: 1.98 6 Derivative convergence rate at refinement 1: 0.98 7 Function convergence rate at refinement 2: 2.00 8 Derivative convergence rate at refinement 2: 1.00
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H A D | ex3_q1_2d_plex_5.out | 3 Function convergence rate at refinement 0: 1.32 4 Derivative convergence rate at refinement 0: 1.02 5 Function convergence rate at refinement 1: 1.93 6 Derivative convergence rate at refinement 1: 1.01 7 Function convergence rate at refinement 2: 1.98 8 Derivative convergence rate at refinement 2: 1.00
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H A D | ex3_q2_2d_plex_0.out | 3 Function convergence rate at refinement 0: 2.99 4 Derivative convergence rate at refinement 0: 1.99 5 Function convergence rate at refinement 1: 3.00 6 Derivative convergence rate at refinement 1: 2.00 7 Function convergence rate at refinement 2: 3.00 8 Derivative convergence rate at refinement 2: 2.00
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H A D | ex3_q2_2d_plex_6.out | 3 Function convergence rate at refinement 0: 3.09 4 Derivative convergence rate at refinement 0: 2.11 5 Function convergence rate at refinement 1: 3.01 6 Derivative convergence rate at refinement 1: 2.02 7 Function convergence rate at refinement 2: 3.00 8 Derivative convergence rate at refinement 2: 2.00
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H A D | ex3_bdm1q_2d_0.out | 3 Function convergence rate at refinement 0: 1.92 4 Derivative convergence rate at refinement 0: 0.93 5 Function convergence rate at refinement 1: 1.98 6 Derivative convergence rate at refinement 1: 0.98 7 Function convergence rate at refinement 2: 2.00 8 Derivative convergence rate at refinement 2: 1.00
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H A D | ex3_q1_2d_da_0.out | 3 Function convergence rate at refinement 0: 1.1 4 Derivative convergence rate at refinement 0: 0.53 5 Function convergence rate at refinement 1: 1.4 6 Derivative convergence rate at refinement 1: 0.71 7 Function convergence rate at refinement 2: 1.7 8 Derivative convergence rate at refinement 2: 0.84
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H A D | ex3_q2_2d_plex_5.out | 3 Function convergence rate at refinement 0: 3.09 4 Derivative convergence rate at refinement 0: 2.11 5 Function convergence rate at refinement 1: 3.01 6 Derivative convergence rate at refinement 1: 2.02 7 Function convergence rate at refinement 2: 3.00 8 Derivative convergence rate at refinement 2: 2.00
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H A D | ex3_q2_2d_plex_7.out | 3 Function convergence rate at refinement 0: 3.09 4 Derivative convergence rate at refinement 0: 2.11 5 Function convergence rate at refinement 1: 3.01 6 Derivative convergence rate at refinement 1: 2.02 7 Function convergence rate at refinement 2: 3.00 8 Derivative convergence rate at refinement 2: 2.00
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H A D | ex3_q3_2d_0.out | 3 Function convergence rate at refinement 0: 4.03 4 Derivative convergence rate at refinement 0: 3.04 5 Function convergence rate at refinement 1: 4.00 6 Derivative convergence rate at refinement 1: 3.00 7 Function convergence rate at refinement 2: 4.00 8 Derivative convergence rate at refinement 2: 3.00
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H A D | ex3_p1_3d_0.out | 3 Function convergence rate at refinement 0: 0.14 4 Derivative convergence rate at refinement 0: -0.22 5 Function convergence rate at refinement 1: 1.80 6 Derivative convergence rate at refinement 1: 0.85 7 Function convergence rate at refinement 2: 1.95 8 Derivative convergence rate at refinement 2: 0.97
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H A D | ex3_p1_3d_3.out | 3 Function convergence rate at coarsening 0: 0.81 4 Derivative convergence rate at coarsening 0: 0.37 5 Function convergence rate at coarsening 1: 0.62 6 Derivative convergence rate at coarsening 1: 0.33 7 Function convergence rate at coarsening 2: 0.58 8 Derivative convergence rate at coarsening 2: 0.22
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H A D | ex3_p1d_2d_3.out | 3 Function convergence rate at refinement 0: 1.95 4 Derivative convergence rate at refinement 0: 0.95 5 Function convergence rate at refinement 1: 1.99 6 Derivative convergence rate at refinement 1: 0.99 7 Function convergence rate at refinement 2: 2.00 8 Derivative convergence rate at refinement 2: 1.00
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