| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | pao_optimizer.F | 96 SUBROUTINE pao_opt_new_dir(pao, icycle) argument
98 INTEGER, INTENT(IN) :: icycle local
143 SUBROUTINE pao_opt_new_dir_low(pao, icycle, matrix_G, matrix_G_prev, matrix_D) argument
145 INTEGER, INTENT(IN) :: icycle local
150 CALL pao_opt_newdir_cg(pao, icycle, matrix_G, matrix_G_prev, matrix_D)
167 SUBROUTINE pao_opt_newdir_cg(pao, icycle, matrix_G, matrix_G_prev, matrix_D) argument
169 INTEGER, INTENT(IN) :: icycle local
176 IF (icycle <= pao%cg_init_steps) THEN
225 INTEGER, INTENT(IN) :: icycle local
243 IF (icycle > 1) THEN
[all …]
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| H A D | pao_main.F | 201 INTEGER :: handle, icycle local
242 icycle = 0
257 icycle = icycle + 1
265 CALL pao_opt_new_dir(pao, icycle)
273 pao_is_done = icycle < 3
280 IF (icycle >= pao%max_cycles) THEN
281 … IF (pao%iw > 0) WRITE (pao%iw, *) "PAO| CG not yet converged after ", icycle, " cylces."
286 IF (MOD(icycle, pao%write_cycles) == 0) &
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| H A D | pao_ml_neuralnet.F | 121 INTEGER :: i, icycle, ikind, ilayer, ipoint, j, & local
159 DO icycle = 1, max_training_cycles
171 IF (pao%iw > 0 .AND. MOD(icycle, 100) == 0) WRITE (pao%iw, *) &
173 " training-cycle:", icycle, "SQRT(error):", SQRT(error), "grad:", SUM(gradient**2)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | pao_optimizer.F | 96 SUBROUTINE pao_opt_new_dir(pao, icycle) argument
98 INTEGER, INTENT(IN) :: icycle local
143 SUBROUTINE pao_opt_new_dir_low(pao, icycle, matrix_G, matrix_G_prev, matrix_D) argument
145 INTEGER, INTENT(IN) :: icycle local
150 CALL pao_opt_newdir_cg(pao, icycle, matrix_G, matrix_G_prev, matrix_D)
167 SUBROUTINE pao_opt_newdir_cg(pao, icycle, matrix_G, matrix_G_prev, matrix_D) argument
169 INTEGER, INTENT(IN) :: icycle local
176 IF (icycle <= pao%cg_init_steps) THEN
225 INTEGER, INTENT(IN) :: icycle local
243 IF (icycle > 1) THEN
[all …]
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| H A D | pao_main.F | 201 INTEGER :: handle, icycle local
242 icycle = 0
257 icycle = icycle + 1
265 CALL pao_opt_new_dir(pao, icycle)
273 pao_is_done = icycle < 3
280 IF (icycle >= pao%max_cycles) THEN
281 … IF (pao%iw > 0) WRITE (pao%iw, *) "PAO| CG not yet converged after ", icycle, " cylces."
286 IF (MOD(icycle, pao%write_cycles) == 0) &
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| H A D | pao_ml_neuralnet.F | 124 INTEGER :: i, icycle, ikind, ilayer, ipoint, j, & local
165 DO icycle = 1, max_training_cycles
177 IF (pao%iw > 0 .AND. MOD(icycle, 100) == 0) WRITE (pao%iw, *) &
179 " training-cycle:", icycle, "SQRT(error):", SQRT(error), "grad:", SUM(gradient**2)
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| /dports/science/libmsym/libmsym-0.2.3-paper/src/ |
| H A D | permutation.c | 269 int *icycle = malloc(sizeof(int[l])); in setPermutationCycles() local
274 memset(icycle, -1,sizeof(int[l])); //TODO: 2s complement in setPermutationCycles()
281 if(icycle[i] >= 0) continue; in setPermutationCycles()
284 icycle[i] = cl; in setPermutationCycles()
291 icycle[next] = cl; in setPermutationCycles()
305 free(icycle); in setPermutationCycles()
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| /dports/science/v_sim/v_sim-3.8.0/lib/plug-ins/msym/libmsym/src/ |
| H A D | permutation.c | 269 int *icycle = malloc(sizeof(int[l])); in setPermutationCycles() local
274 memset(icycle, -1,sizeof(int[l])); //TODO: 2s complement in setPermutationCycles()
281 if(icycle[i] >= 0) continue; in setPermutationCycles()
284 icycle[i] = cl; in setPermutationCycles()
291 icycle[next] = cl; in setPermutationCycles()
305 free(icycle); in setPermutationCycles()
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| /dports/science/py-abipy/abipy-0.9.0/abipy/panels/ |
| H A D | outputs.py | 35 for icycle, cycle in enumerate(cycles):
36 … box.append(self._mp(cycle.plot(title="%s cycle #%d" % (what, icycle), **self.fig_kwargs)))
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/externals/fetk/punc/src/cgcode/ |
| H A D | dcg.c | 60 static integer icycle; in dcg_() local
390 icycle = iparam[31]; in dcg_()
392 kmax = icycle * nce; in dcg_()
514 if (iters % icycle == 0) { in dcg_()
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| H A D | dcgnr.c | 55 static integer icycle; in dcgnr_() local
394 icycle = iparam[31]; in dcgnr_()
396 kmax = icycle * nce; in dcgnr_()
517 if (iters % icycle == 0) { in dcgnr_()
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| H A D | scg.c | 57 static integer icycle; in scg_() local
388 icycle = iparam[31]; in scg_()
390 kmax = icycle * nce; in scg_()
512 if (iters % icycle == 0) { in scg_()
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| H A D | scgnr.c | 54 static integer icycle; in scgnr_() local
394 icycle = iparam[31]; in scgnr_()
396 kmax = icycle * nce; in scgnr_()
517 if (iters % icycle == 0) { in scgnr_()
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| H A D | spcg.c | 57 static integer icycle; in spcg_() local
435 icycle = iparam[31]; in spcg_()
437 kmax = icycle * nce; in spcg_()
560 if (iters % icycle == 0) { in spcg_()
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| H A D | scgne.c | 55 static integer icycle; in scgne_() local
397 icycle = iparam[31]; in scgne_()
399 kmax = icycle * nce; in scgne_()
525 if (iters % icycle == 0) { in scgne_()
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| H A D | dcgne.c | 56 static integer icycle; in dcgne_() local
397 icycle = iparam[31]; in dcgne_()
399 kmax = icycle * nce; in dcgne_()
525 if (iters % icycle == 0) { in dcgne_()
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| H A D | dpcg.c | 59 static integer icycle; in dpcg_() local
437 icycle = iparam[31]; in dpcg_()
439 kmax = icycle * nce; in dpcg_()
562 if (iters % icycle == 0) { in dpcg_()
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| H A D | scr.c | 60 static integer icycle; in scr_() local
398 icycle = iparam[31]; in scr_()
400 kmax = icycle * nce; in scr_()
536 if (iters % icycle == 0) { in scr_()
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| H A D | spcgne.c | 57 static integer icycle; in spcgne_() local
438 icycle = iparam[31]; in spcgne_()
440 kmax = icycle * nce; in spcgne_()
573 if (iters % icycle == 0) { in spcgne_()
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| H A D | spcgnr.c | 57 static integer icycle; in spcgnr_() local
437 icycle = iparam[31]; in spcgnr_()
439 kmax = icycle * nce; in spcgnr_()
572 if (iters % icycle == 0) { in spcgnr_()
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| H A D | dcr.c | 61 static integer icycle; in dcr_() local
399 icycle = iparam[31]; in dcr_()
401 kmax = icycle * nce; in dcr_()
537 if (iters % icycle == 0) { in dcr_()
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| H A D | dpcgnr.c | 57 static integer icycle; in dpcgnr_() local
437 icycle = iparam[31]; in dpcgnr_()
439 kmax = icycle * nce; in dpcgnr_()
572 if (iters % icycle == 0) { in dpcgnr_()
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| H A D | dpcgne.c | 58 static integer icycle; in dpcgne_() local
439 icycle = iparam[31]; in dpcgne_()
441 kmax = icycle * nce; in dpcgne_()
574 if (iters % icycle == 0) { in dpcgne_()
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| H A D | dppcg.c | 73 static integer icycle, ipcond; in dppcg_() local
525 icycle = iparam[31]; in dppcg_()
527 kmax = icycle * nce; in dppcg_()
656 if (iters % icycle == 0) { in dppcg_()
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| /dports/ports-mgmt/portsreinstall/portsreinstall-4.1.0/libexec/ |
| H A D | order_dependencies.awk | 41 icycle = 0;
71 icycle++;
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