/dports/science/nwchem-data/nwchem-7.0.2-release/src/dimqm/ |
H A D | seeded_qmr_complex.F | 95 call ga_copy(g_work(2), g_work(3)) 97 call ga_copy(g_work(3), g_work(6)) 102 call ga_conjg(g_work(3), g_work(7)) 163 call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) 167 call ga_add(ONE_C, g_work(2), -ONE_C, g_work(3), g_work(3)) 168 call ga_conjg(g_work(3), g_work(7)) 221 call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) 239 call ga_add(ONE_C, g_work(6), -l_n, g_work(3), g_work(3)) 269 call ga_add(ONE_C, g_work(4), -dtmp, g_work(5), g_work(5)) 275 call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) [all …]
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H A D | seeded_qmr_real.F | 89 call ga_copy(g_work(2), g_work(3)) 91 call ga_copy(g_work(3), g_work(6)) 96 res_0 = SQRT(ga_ddot(g_work(3), g_work(3))) 157 call ga_add(ONE, g_work(1), dtmp, g_work(5), g_work(1)) 161 call ga_add(ONE, g_work(2), -ONE, g_work(3), g_work(3)) 162 dtmp = SQRT(ga_ddot(g_work(3), g_work(3))) 210 call ga_add(ONE, g_work(3), -dtmp, g_work(4), g_work(4)) 227 call ga_add(ONE, g_work(6), -l_n, g_work(3), g_work(3)) 255 call ga_add(ONE, g_work(4), -dtmp, g_work(5), g_work(5)) 261 call ga_add(ONE, g_work(1), dtmp, g_work(5), g_work(1)) [all …]
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H A D | qmr_complex.F | 85 call ga_copy(g_work(2), g_work(3)) 90 call ga_conjg(g_work(3), g_work(7)) 132 d_n = ga_zdot(g_work(3), g_work(3)) 144 call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) 157 e_n = ga_zdot(g_work(4), g_work(6)) 162 call ga_add(ONE_C, g_work(6), -l_n, g_work(3), g_work(3)) 166 call ga_conjg(g_work(3), g_work(7)) 192 call ga_add(ONE_C, g_work(4), -dtmp, g_work(5), g_work(5)) 198 call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) 215 call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) [all …]
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H A D | seeded_qmr_real_augment.F | 100 call ga_add(ONE, g_work(2), -ONE, g_work(3), g_work(3)) 102 call ga_copy(g_work(3), g_work(7)) 109 res_0 = SQRT(ga_ddot(g_work(3), g_work(3))) 157 call ga_add(ONE, g_work(2), -ONE, g_work(3), g_work(3)) 158 dtmp = SQRT(ga_ddot(g_work(3), g_work(3))) 205 call ga_add(ONE, g_work(3), -dtmp, g_work(4), g_work(4)) 222 call ga_add(ONE, g_work(6), -l_n, g_work(3), g_work(3)) 225 scv = SQRT(ga_ddot(g_work(3), g_work(3))) 262 call ga_add(ONE, g_work(4), -dtmp, g_work(5), g_work(5)) 278 call ga_add(ONE, g_work(1), dtmp, g_work(5), g_work(1)) [all …]
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H A D | qmr_real.F | 76 call ga_copy(g_work(2), g_work(3)) 81 res_0 = SQRT(ga_ddot(g_work(3), g_work(3))) 120 d_n = ga_ddot(g_work(3), g_work(3)) / (scv**2) 131 call ga_add(ONE, g_work(3), -dtmp, g_work(4), g_work(4)) 144 e_n = ga_ddot(g_work(4), g_work(6)) * scpn**2 148 call ga_add(ONE, g_work(6), -l_n, g_work(3), g_work(3)) 151 scv = SQRT(ga_ddot(g_work(3), g_work(3))) 176 call ga_add(ONE, g_work(4), -dtmp, g_work(5), g_work(5)) 182 call ga_add(ONE, g_work(1), dtmp, g_work(5), g_work(1)) 200 call ga_add(ONE, g_work(2), -ONE, g_work(6), g_work(6)) [all …]
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H A D | qmr_seed_complex.F | 92 call ga_copy(g_work(2), g_work(3)) 97 call ga_conjg(g_work(3), g_work(7)) 142 d_n = ga_zdot(g_work(3), g_work(3)) 154 call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) 167 e_n = ga_zdot(g_work(4), g_work(6)) 172 call ga_add(ONE_C, g_work(6), -l_n, g_work(3), g_work(3)) 176 call ga_conjg(g_work(3), g_work(7)) 224 call ga_add(ONE_C, g_work(4), -dtmp, g_work(5), g_work(5)) 246 call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) 263 call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) [all …]
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H A D | qmr_seed_real.F | 86 call ga_copy(g_work(2), g_work(3)) 91 res_0 = SQRT(ga_ddot(g_work(3), g_work(3))) 135 d_n = ga_ddot(g_work(3), g_work(3)) / (scv**2) 146 call ga_add(ONE, g_work(3), -dtmp, g_work(4), g_work(4)) 156 call matvec(rtdb, nlen, g_work(4), g_work(6), xyz, ldebug) 159 e_n = ga_ddot(g_work(4), g_work(6)) * scpn**2 163 call ga_add(ONE, g_work(6), -l_n, g_work(3), g_work(3)) 166 scv = SQRT(ga_ddot(g_work(3), g_work(3))) 218 call ga_add(ONE, g_work(4), -dtmp, g_work(5), g_work(5)) 248 call ga_add(ONE, g_work(1), dtmp, g_work(5), g_work(1)) [all …]
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H A D | dimqm_iterative.F | 27 integer g_work(8) 58 $ g_work(1))) 61 $ g_work(2))) 64 $ g_work(3))) 67 $ g_work(4))) 70 $ g_work(5))) 73 $ g_work(6))) 77 $ g_work(7))) 130 call qmr_real(rtdb, nOrder, g_work, nIter, err, ierr, 165 stat = ga_destroy(g_work(i)) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/dimqm/ |
H A D | seeded_qmr_complex.F | 95 call ga_copy(g_work(2), g_work(3)) 97 call ga_copy(g_work(3), g_work(6)) 102 call ga_conjg(g_work(3), g_work(7)) 163 call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) 167 call ga_add(ONE_C, g_work(2), -ONE_C, g_work(3), g_work(3)) 168 call ga_conjg(g_work(3), g_work(7)) 221 call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) 239 call ga_add(ONE_C, g_work(6), -l_n, g_work(3), g_work(3)) 269 call ga_add(ONE_C, g_work(4), -dtmp, g_work(5), g_work(5)) 275 call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) [all …]
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H A D | seeded_qmr_real.F | 89 call ga_copy(g_work(2), g_work(3)) 91 call ga_copy(g_work(3), g_work(6)) 96 res_0 = SQRT(ga_ddot(g_work(3), g_work(3))) 157 call ga_add(ONE, g_work(1), dtmp, g_work(5), g_work(1)) 161 call ga_add(ONE, g_work(2), -ONE, g_work(3), g_work(3)) 162 dtmp = SQRT(ga_ddot(g_work(3), g_work(3))) 210 call ga_add(ONE, g_work(3), -dtmp, g_work(4), g_work(4)) 227 call ga_add(ONE, g_work(6), -l_n, g_work(3), g_work(3)) 255 call ga_add(ONE, g_work(4), -dtmp, g_work(5), g_work(5)) 261 call ga_add(ONE, g_work(1), dtmp, g_work(5), g_work(1)) [all …]
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H A D | qmr_complex.F | 85 call ga_copy(g_work(2), g_work(3)) 90 call ga_conjg(g_work(3), g_work(7)) 132 d_n = ga_zdot(g_work(3), g_work(3)) 144 call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) 157 e_n = ga_zdot(g_work(4), g_work(6)) 162 call ga_add(ONE_C, g_work(6), -l_n, g_work(3), g_work(3)) 166 call ga_conjg(g_work(3), g_work(7)) 192 call ga_add(ONE_C, g_work(4), -dtmp, g_work(5), g_work(5)) 198 call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) 215 call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) [all …]
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H A D | seeded_qmr_real_augment.F | 100 call ga_add(ONE, g_work(2), -ONE, g_work(3), g_work(3)) 102 call ga_copy(g_work(3), g_work(7)) 109 res_0 = SQRT(ga_ddot(g_work(3), g_work(3))) 157 call ga_add(ONE, g_work(2), -ONE, g_work(3), g_work(3)) 158 dtmp = SQRT(ga_ddot(g_work(3), g_work(3))) 205 call ga_add(ONE, g_work(3), -dtmp, g_work(4), g_work(4)) 222 call ga_add(ONE, g_work(6), -l_n, g_work(3), g_work(3)) 225 scv = SQRT(ga_ddot(g_work(3), g_work(3))) 262 call ga_add(ONE, g_work(4), -dtmp, g_work(5), g_work(5)) 278 call ga_add(ONE, g_work(1), dtmp, g_work(5), g_work(1)) [all …]
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H A D | qmr_real.F | 76 call ga_copy(g_work(2), g_work(3)) 81 res_0 = SQRT(ga_ddot(g_work(3), g_work(3))) 120 d_n = ga_ddot(g_work(3), g_work(3)) / (scv**2) 131 call ga_add(ONE, g_work(3), -dtmp, g_work(4), g_work(4)) 144 e_n = ga_ddot(g_work(4), g_work(6)) * scpn**2 148 call ga_add(ONE, g_work(6), -l_n, g_work(3), g_work(3)) 151 scv = SQRT(ga_ddot(g_work(3), g_work(3))) 176 call ga_add(ONE, g_work(4), -dtmp, g_work(5), g_work(5)) 182 call ga_add(ONE, g_work(1), dtmp, g_work(5), g_work(1)) 200 call ga_add(ONE, g_work(2), -ONE, g_work(6), g_work(6)) [all …]
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H A D | qmr_seed_complex.F | 92 call ga_copy(g_work(2), g_work(3)) 97 call ga_conjg(g_work(3), g_work(7)) 142 d_n = ga_zdot(g_work(3), g_work(3)) 154 call ga_add(ONE_C, g_work(3), -dtmp, g_work(4), g_work(4)) 167 e_n = ga_zdot(g_work(4), g_work(6)) 172 call ga_add(ONE_C, g_work(6), -l_n, g_work(3), g_work(3)) 176 call ga_conjg(g_work(3), g_work(7)) 224 call ga_add(ONE_C, g_work(4), -dtmp, g_work(5), g_work(5)) 246 call ga_add(ONE_C, g_work(1), dtmp, g_work(5), g_work(1)) 263 call ga_add(ONE_C, g_work(2), -ONE, g_work(6), g_work(6)) [all …]
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H A D | qmr_seed_real.F | 86 call ga_copy(g_work(2), g_work(3)) 91 res_0 = SQRT(ga_ddot(g_work(3), g_work(3))) 135 d_n = ga_ddot(g_work(3), g_work(3)) / (scv**2) 146 call ga_add(ONE, g_work(3), -dtmp, g_work(4), g_work(4)) 156 call matvec(rtdb, nlen, g_work(4), g_work(6), xyz, ldebug) 159 e_n = ga_ddot(g_work(4), g_work(6)) * scpn**2 163 call ga_add(ONE, g_work(6), -l_n, g_work(3), g_work(3)) 166 scv = SQRT(ga_ddot(g_work(3), g_work(3))) 218 call ga_add(ONE, g_work(4), -dtmp, g_work(5), g_work(5)) 248 call ga_add(ONE, g_work(1), dtmp, g_work(5), g_work(1)) [all …]
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H A D | dimqm_iterative.F | 27 integer g_work(8) 58 $ g_work(1))) 61 $ g_work(2))) 64 $ g_work(3))) 67 $ g_work(4))) 70 $ g_work(5))) 73 $ g_work(6))) 77 $ g_work(7))) 130 call qmr_real(rtdb, nOrder, g_work, nIter, err, ierr, 165 stat = ga_destroy(g_work(i)) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/property/ |
H A D | CalcPerturbedTDPmat1.F | 63 integer g_ptmp, g_eig1, g_work 161 call ga_zero(g_work) 265 & g_work ,1,naos,1,naos) 282 call ga_add(1d0,g_ptmp,1d0,g_work,g_work) 291 call ga_transpose(g_work, g_ptmp) 298 call ga_transpose(g_ptmp,g_work) 333 call ga_zero(g_work) 393 & g_work ,1,naos,1,naos) 399 call ga_add(1d0,g_ptmp,1d0,g_work,g_work) 401 call ga_transpose(g_work, g_ptmp) [all …]
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H A D | CalcPerturbedTDPmat1_opt.F | 242 integer g_ptmp,g_eig1,g_work 399 call ga_zero(g_work) 414 call ga_print(g_work) 421 call ga_add(1d0,g_ptmp,1d0,g_work,g_work) 446 if (.not.ga_destroy(g_work)) 623 call ga_zero(g_work) 769 & g_work ,1,naos,1,naos) 786 call ga_add(1d0,g_ptmp,1d0,g_work,g_work) 880 call ga_zero(g_work) 940 & g_work,1,naos,1,naos) [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/property/ |
H A D | CalcPerturbedTDPmat1.F | 63 integer g_ptmp, g_eig1, g_work 161 call ga_zero(g_work) 265 & g_work ,1,naos,1,naos) 282 call ga_add(1d0,g_ptmp,1d0,g_work,g_work) 291 call ga_transpose(g_work, g_ptmp) 298 call ga_transpose(g_ptmp,g_work) 333 call ga_zero(g_work) 393 & g_work ,1,naos,1,naos) 399 call ga_add(1d0,g_ptmp,1d0,g_work,g_work) 401 call ga_transpose(g_work, g_ptmp) [all …]
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H A D | CalcPerturbedTDPmat1_opt.F | 242 integer g_ptmp,g_eig1,g_work 399 call ga_zero(g_work) 414 call ga_print(g_work) 421 call ga_add(1d0,g_ptmp,1d0,g_work,g_work) 446 if (.not.ga_destroy(g_work)) 623 call ga_zero(g_work) 769 & g_work ,1,naos,1,naos) 786 call ga_add(1d0,g_ptmp,1d0,g_work,g_work) 880 call ga_zero(g_work) 940 & g_work,1,naos,1,naos) [all …]
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/dports/graphics/azpainterb/azpainterb-1.1.3/src/image/ |
H A D | TileImage_draw_brush.c | 276 g_work.lastx = x; in TileImage_beginDrawBrush_free() 277 g_work.lasty = y; in TileImage_beginDrawBrush_free() 279 g_work.t = 0; in TileImage_beginDrawBrush_free() 289 g_work.curve_pt[1] = g_work.curve_pt[0]; in TileImage_beginDrawBrush_free() 290 g_work.curve_pt[2] = g_work.curve_pt[0]; in TileImage_beginDrawBrush_free() 359 g_work.lastx = x; in _drawbrush_curveline() 360 g_work.lasty = y; in _drawbrush_curveline() 379 g_work.curve_pt[i] = g_work.curve_pt[i + 1]; in TileImage_drawBrushFree() 386 g_work.lastx, g_work.lasty, x, y, in TileImage_drawBrushFree() 387 g_work.lastpress, pressure, g_work.t); in TileImage_drawBrushFree() [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/util/ |
H A D | ga_it_proj.F | 78 subroutine ga_precond_project(g_x, shift, precond, g_work) argument 85 integer g_work local 121 call ga_copy_patch('n', g_x, 1, n, 1, 1, g_work, 1, n, 1, 1) 128 $ 1.0d0, g_work, 1, n, 1, 1, 130 $ g_work, 1, n, 1, 1) 133 call precond(g_work, shift) 137 $ g_work, 'n', 1, n, 1, 1, 140 $ 1.0d0, g_work, 1, n, 1, 1, 142 $ g_work, 1, n, 1, 1) 153 $ 1.0d0, g_work, 1, n, 1, 1, [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/util/ |
H A D | ga_it_proj.F | 78 subroutine ga_precond_project(g_x, shift, precond, g_work) argument 85 integer g_work local 121 call ga_copy_patch('n', g_x, 1, n, 1, 1, g_work, 1, n, 1, 1) 128 $ 1.0d0, g_work, 1, n, 1, 1, 130 $ g_work, 1, n, 1, 1) 133 call precond(g_work, shift) 137 $ g_work, 'n', 1, n, 1, 1, 140 $ 1.0d0, g_work, 1, n, 1, 1, 142 $ g_work, 1, n, 1, 1) 153 $ 1.0d0, g_work, 1, n, 1, 1, [all …]
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/dports/graphics/azpainter/azpainter-2.1.7/src/image/ |
H A D | TileImage_draw_brush.c | 297 g_work.lastx = x; in TileImage_beginDrawBrush_free() 298 g_work.lasty = y; in TileImage_beginDrawBrush_free() 300 g_work.t = 0; in TileImage_beginDrawBrush_free() 310 g_work.curve_pt[1] = g_work.curve_pt[0]; in TileImage_beginDrawBrush_free() 311 g_work.curve_pt[2] = g_work.curve_pt[0]; in TileImage_beginDrawBrush_free() 373 g_work.lastx = x; in _drawbrush_curveline() 374 g_work.lasty = y; in _drawbrush_curveline() 393 g_work.curve_pt[i] = g_work.curve_pt[i + 1]; in TileImage_drawBrushFree() 400 g_work.lastx, g_work.lasty, x, y, in TileImage_drawBrushFree() 401 g_work.lastpress, pressure, g_work.t); in TileImage_drawBrushFree() [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/cphf/ |
H A D | cphf_solve2.F | 27 integer g_grad, g_work, 267 $ g_work) 283 residual = sqrt(ga_ddot(g_work, g_work)) 320 & g_work, ! out: RE guess 347 call uhf_precond(g_work,0.0d0) 373 call rohf_hessv_precond(g_work,0.0d0) 379 call ga_lkain_ext(rtdb,g_work, g_grad, rohf_hessv2, 385 call ga_lkain(rtdb,g_work, g_grad, rohf_hessv2, 431 call ga_copy_patch('n',g_work,1,vlen,1 ,nvec, 438 if(.not.file_write_ga(cphf_sol,g_work)) [all …]
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