/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/DMatrix/ |
H A D | DMatrix.F | 200 jcur = jcur + 1 259 jcur = jcur + 1 315 jcur = jcur + 1 372 jcur = jcur + 1 425 jcur = jcur + 1 538 jcur = jcur + 1 592 jcur = jcur + 1 645 jcur = jcur + 1 682 jcur = jcur + 1 733 jcur = jcur + 1 [all …]
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H A D | DMatrix-mpi.F | 709 jcur = jcur + 1 868 jcur = jcur + 1 1012 jcur = jcur + 1 1174 jcur = jcur + 1 1317 jcur = jcur + 1 1885 jcur = jcur + 1 1923 jcur = jcur + 1 2165 jcur = jcur + 1 2367 jcur = jcur + 1 2562 jcur = jcur + 1 [all …]
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H A D | DMatrix-tcgmsg.F | 166 jcur = 0 215 jcur = jcur + 1 280 jcur = 0 344 jcur = jcur + 1 409 jcur = 0 473 jcur = jcur + 1 589 jcur = jcur + 1 1051 jcur = jcur + 1 1079 jcur = jcur + 1 1244 jcur = jcur + 1 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/DMatrix/ |
H A D | DMatrix.F | 200 jcur = jcur + 1 259 jcur = jcur + 1 315 jcur = jcur + 1 372 jcur = jcur + 1 425 jcur = jcur + 1 538 jcur = jcur + 1 592 jcur = jcur + 1 645 jcur = jcur + 1 682 jcur = jcur + 1 733 jcur = jcur + 1 [all …]
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H A D | DMatrix-mpi.F | 709 jcur = jcur + 1 868 jcur = jcur + 1 1012 jcur = jcur + 1 1174 jcur = jcur + 1 1317 jcur = jcur + 1 1860 jcur = jcur + 1 1896 jcur = jcur + 1 2138 jcur = jcur + 1 2340 jcur = jcur + 1 2535 jcur = jcur + 1 [all …]
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H A D | DMatrix-tcgmsg.F | 166 jcur = 0 215 jcur = jcur + 1 280 jcur = 0 344 jcur = jcur + 1 409 jcur = 0 473 jcur = jcur + 1 589 jcur = jcur + 1 1051 jcur = jcur + 1 1079 jcur = jcur + 1 1244 jcur = jcur + 1 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/CMatrix/ |
H A D | CMatrix.F | 190 jcur = jcur + 1 244 jcur = jcur + 1 299 jcur = jcur + 1 350 jcur = jcur + 1 461 jcur = jcur + 1 514 jcur = jcur + 1 567 jcur = jcur + 1 613 jcur = jcur + 1 672 jcur = jcur + 1 738 jcur = jcur + 1 [all …]
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H A D | CMatrix-mpi.F | 176 jcur = mod(jcur-1+np_j,np_j) 701 jcur = jcur + 1 861 jcur = jcur + 1 1003 jcur = jcur + 1 1149 jcur = jcur + 1 1291 jcur = jcur + 1 1842 jcur = jcur + 1 1880 jcur = jcur + 1 2117 jcur = jcur + 1 2311 jcur = jcur + 1 [all …]
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H A D | CMatrix-tcgmsg.F | 165 jcur = 0 214 jcur = jcur + 1 279 jcur = 0 343 jcur = jcur + 1 410 jcur = 0 458 jcur = jcur + 1 924 jcur = jcur + 1 952 jcur = jcur + 1 1067 jcur = 0 1117 jcur = jcur + 1 [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/CMatrix/ |
H A D | CMatrix.F | 188 jcur = jcur + 1 242 jcur = jcur + 1 297 jcur = jcur + 1 348 jcur = jcur + 1 459 jcur = jcur + 1 512 jcur = jcur + 1 565 jcur = jcur + 1 611 jcur = jcur + 1 670 jcur = jcur + 1 736 jcur = jcur + 1 [all …]
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H A D | CMatrix-mpi.F | 132 jcur = mod(jcur-1+np_j,np_j) 151 jcur = mod(jcur-1+np_j,np_j) 171 jcur = mod(jcur-1+np_j,np_j) 185 jcur = mod(jcur-1+np_j,np_j) 684 jcur = jcur + 1 833 jcur = jcur + 1 969 jcur = jcur + 1 1515 jcur = jcur + 1 1551 jcur = jcur + 1 1788 jcur = jcur + 1 [all …]
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H A D | CMatrix-tcgmsg.F | 165 jcur = 0 214 jcur = jcur + 1 279 jcur = 0 343 jcur = jcur + 1 410 jcur = 0 458 jcur = jcur + 1 924 jcur = jcur + 1 952 jcur = jcur + 1 1067 jcur = 0 1117 jcur = jcur + 1 [all …]
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/dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/ |
H A D | symmint.cc | 53 while (OneBodyIntIter::ready() && !pl->lambda(icur,jcur)) in next() 61 while (OneBodyIntIter::ready() && !pl->lambda(icur,jcur)) in start() 68 return (double) pl->lambda(icur,jcur) / (double) pl->order(); in scale() 102 !pl->in_p4(i_offset(icur)+jcur, i_offset(kcur)+lcur, in next() 103 icur,jcur,kcur,lcur)) in next() 113 !pl->in_p4(i_offset(icur)+jcur, i_offset(kcur)+lcur, in start() 114 icur,jcur,kcur,lcur)) in start() 123 pl->in_p4(i_offset(icur)+jcur, i_offset(kcur)+lcur,icur,jcur,kcur,lcur); in scale()
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H A D | tbint.cc | 392 jcur=0; j_ = jstart; in start() 421 if (jcur < jend-1) { in next() 422 jcur++; in next() 427 jcur=0; in next() 454 jcur++; in next() 459 jcur=0; in next() 486 jcur=0; in start() 512 if (jcur < icur) { // increment j loop? in next() 513 jcur++; in next() 518 jcur=0; in next() [all …]
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H A D | obint.h | 251 int jcur; variable 261 void start() { icur=jcur=index=0; } in start() 265 if (jcur < ((e12)?(icur):((jend)-1))) { in next() 267 jcur++; in next() 271 jcur=0; in next() 278 int current_j() const { return jcur; } in current_j() 281 int j() const { return jcur+joffset; } in j() 304 int jcur; variable 319 int jshell() const { return jcur; } in jshell()
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H A D | obint.cc | 355 jcur=jstart; in start() 362 ij = (icur*(icur+1)>>1) + jcur; in start() 376 if (jcur < jlast) { in next() 377 jcur++; in next() 382 jcur=jstart; in next() 385 ij = (icur*(icur+1)>>1) + jcur; in next() 397 obi->compute_shell(icur,jcur); in current_pair() 398 spi.init(obi->buffer(), icur, jcur, in current_pair() 400 obi->basis2()->shell_to_function(jcur), in current_pair() 402 obi->basis2()->operator()(jcur).nfunction(), in current_pair()
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/dports/misc/elki/elki-release0.7.1-1166-gfb1fffdf3/elki-clustering/src/main/java/de/lmu/ifi/dbs/elki/algorithm/clustering/kmeans/ |
H A D | FastCLARANS.java | 230 final int jcur = assignment.intValue(j); in computeCostDifferential() local 232 cost[jcur] += Math.min(dist_h, second.doubleValue(j)) - distcur; in computeCostDifferential() 235 for(int mnum = 0; mnum < jcur; mnum++) { in computeCostDifferential() 238 for(int mnum = jcur + 1; mnum < k; mnum++) { in computeCostDifferential() 273 final int jcur = assignment.intValue(j); in performLastSwap() local 275 if(jcur == lastbest) { in performLastSwap() 283 secondid.putInt(j, jcur); in performLastSwap() 288 recompute(j, lastbest, dist_h, jcur, distsec); in performLastSwap() 298 secondid.putInt(j, jcur); in performLastSwap() 305 assignment.putInt(j, jcur); in performLastSwap() [all …]
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H A D | CLARANS.java | 320 final int jcur = assignment.intValue(j); in computeCostDifferential() local 322 if(jcur == mnum) { in computeCostDifferential() 331 scratch.secondid.putInt(j, jcur); in computeCostDifferential() 338 scratch.recompute(j, mnum, dist_h, jcur, distsec); in computeCostDifferential() 349 scratch.secondid.putInt(j, jcur); in computeCostDifferential() 356 scratch.assignment.putInt(j, jcur); in computeCostDifferential() 362 scratch.recompute(j, jcur, distcur, mnum, dist_h); in computeCostDifferential()
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/dports/devel/upp/upp/bazaar/plugin/sundials/src/sunnonlinsol/newton/ |
H A D | sunnonlinsol_newton.c | 87 content->jcur = SUNFALSE; in SUNNonlinSol_Newton() 152 NEWTON_CONTENT(NLS)->jcur = SUNFALSE; in SUNNonlinSolInitialize_Newton() 224 &(NEWTON_CONTENT(NLS)->jcur), in SUNNonlinSolSolve_Newton() 254 NEWTON_CONTENT(NLS)->jcur = SUNFALSE; in SUNNonlinSolSolve_Newton() 280 if ((retval > 0) && !(NEWTON_CONTENT(NLS)->jcur) && (NEWTON_CONTENT(NLS)->LSetup)) { in SUNNonlinSolSolve_Newton()
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/dports/math/py-pystan/pystan-2.19.0.0/pystan/stan/lib/stan_math/lib/sundials_4.1.0/src/sunnonlinsol/newton/ |
H A D | sunnonlinsol_newton.c | 91 content->jcur = SUNFALSE; in SUNNonlinSol_Newton() 158 NEWTON_CONTENT(NLS)->jcur = SUNFALSE; in SUNNonlinSolInitialize_Newton() 222 &(NEWTON_CONTENT(NLS)->jcur), in SUNNonlinSolSolve_Newton() 254 NEWTON_CONTENT(NLS)->jcur = SUNFALSE; in SUNNonlinSolSolve_Newton() 280 if ((retval > 0) && !(NEWTON_CONTENT(NLS)->jcur) && (NEWTON_CONTENT(NLS)->LSetup)) { in SUNNonlinSolSolve_Newton()
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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/ext/sundials/src/sunnonlinsol/newton/ |
H A D | sunnonlinsol_newton.c | 89 content->jcur = SUNFALSE; in SUNNonlinSol_Newton() 156 NEWTON_CONTENT(NLS)->jcur = SUNFALSE; in SUNNonlinSolInitialize_Newton() 228 &(NEWTON_CONTENT(NLS)->jcur), in SUNNonlinSolSolve_Newton() 279 NEWTON_CONTENT(NLS)->jcur = SUNFALSE; in SUNNonlinSolSolve_Newton() 305 if ((retval > 0) && !(NEWTON_CONTENT(NLS)->jcur) && (NEWTON_CONTENT(NLS)->LSetup)) { in SUNNonlinSolSolve_Newton()
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/dports/math/stanmath/math-4.2.0/lib/sundials_5.7.0/src/sunnonlinsol/newton/ |
H A D | sunnonlinsol_newton.c | 89 content->jcur = SUNFALSE; in SUNNonlinSol_Newton() 156 NEWTON_CONTENT(NLS)->jcur = SUNFALSE; in SUNNonlinSolInitialize_Newton() 232 &(NEWTON_CONTENT(NLS)->jcur), in SUNNonlinSolSolve_Newton() 283 NEWTON_CONTENT(NLS)->jcur = SUNFALSE; in SUNNonlinSolSolve_Newton() 309 if ((retval > 0) && !(NEWTON_CONTENT(NLS)->jcur) && (NEWTON_CONTENT(NLS)->LSetup)) { in SUNNonlinSolSolve_Newton()
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/dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/ext/sundials/src/arkode/ |
H A D | arkode_arkstep_nls.c | 258 if (retval == ARK_SUCCESS) step_mem->jcur = SUNFALSE; in arkStep_Nls() 277 int arkStep_NlsLSetup(booleantype jbad, booleantype* jcur, void* arkode_mem) in arkStep_NlsLSetup() argument 297 &(step_mem->jcur), ark_mem->tempv1, in arkStep_NlsLSetup() 301 *jcur = step_mem->jcur; in arkStep_NlsLSetup()
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H A D | arkode_arkstep_impl.h | 110 booleantype jcur; /* is Jacobian info for lin solver current? */ member 174 realtype *gamrat, booleantype **jcur, 195 int arkStep_NlsLSetup(booleantype jbad, booleantype* jcur, void* arkode_mem);
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/dports/math/sundials/sundials-5.7.0/src/sunnonlinsol/newton/ |
H A D | sunnonlinsol_newton.c | 89 content->jcur = SUNFALSE; in SUNNonlinSol_Newton() 156 NEWTON_CONTENT(NLS)->jcur = SUNFALSE; in SUNNonlinSolInitialize_Newton() 232 &(NEWTON_CONTENT(NLS)->jcur), in SUNNonlinSolSolve_Newton() 283 NEWTON_CONTENT(NLS)->jcur = SUNFALSE; in SUNNonlinSolSolve_Newton() 309 if ((retval > 0) && !(NEWTON_CONTENT(NLS)->jcur) && (NEWTON_CONTENT(NLS)->LSetup)) { in SUNNonlinSolSolve_Newton()
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