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/dports/science/madness/madness-ebb3fd7/src/madness/mra/
H A Dnonlinsol.h90 unsigned int maxsub; ///< Maximum size of subspace dimension variable
97 maxsub = new_maxsub; in set_maxsub()
100 const unsigned int tmp = maxsub; in get_maxsub()
105 NonlinearSolverND(unsigned int maxsub = 10) : maxsub(maxsub), do_print(false) {} in maxsub() argument
119 if (maxsub==1) return u-r;
145 if (ulist.size() == maxsub) {
189 : maxsub(10)
195 : maxsub(other.maxsub) in XNonlinearSolver()
204 void set_maxsub(int maxsub) {this->maxsub = maxsub;} in set_maxsub() argument
217 if (maxsub==1) return u-r;
[all …]
/dports/math/ipopt/Ipopt-3.12.13/ThirdParty/Metis/metis-4.0/Programs/
H A Dsmbfactor.c23 int i, j, k, nvtxs, maxlnz, maxsub; in ComputeFillIn() local
36 maxsub = 4*xadj[nvtxs]; in ComputeFillIn()
49 nzsub = idxmalloc(maxsub, "ComputeFillIn: nzsub"); in ComputeFillIn()
65 maxsub = 4*maxsub; in ComputeFillIn()
66 nzsub = idxmalloc(maxsub, "ComputeFillIn: nzsub"); in ComputeFillIn()
101 int i, j, k, nvtxs, maxlnz, maxsub; in ComputeFillIn2() local
110 maxsub = 4*xadj[nvtxs]; in ComputeFillIn2()
123 nzsub = idxmalloc(maxsub, "ComputeFillIn: nzsub"); in ComputeFillIn2()
139 maxsub = 4*maxsub; in ComputeFillIn2()
334 if (nzend > *maxsub) { in smbfct()
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/util/
H A Dga_lkain_ext.F63 integer iter, n, nvec, nsub, isub, type, maxsub
78 maxsub = mmaxsub ! So don't modify input scalar arg
79 if (maxsub .lt. 3*nvec) maxsub = 3*nvec
80 maxsub = (maxsub/nvec)*nvec
86 if ((100*maxsub).lt.n) then
94 write(6,1) n, nvec, maxsub, maxiter, tol, util_wallsec()
105 if (.not. ga_create(MT_DBL, n, maxsub, 'lkain: Y',
107 $ call errquit('lkain: failed allocating subspace', maxsub,
109 if (.not. ga_create(MT_DBL, n, maxsub, 'lkain: Ay',
318 if (nsub .eq. maxsub) then
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H A Dga_it2.F175 maxsub = 4*nvec
225 maxsub = 10
231 $ maxsub, maxiter,
245 maxsub = 4*nvec
311 maxsub = 10
317 $ maxsub, maxiter,
479 if (maxsub .lt. 3*nvec) maxsub = 3*nvec
480 maxsub = (maxsub/nvec)*nvec
802 $ maxsub, maxiter,
856 if (maxsub .gt. maxmaxsub) maxsub = maxmaxsub
[all …]
H A Dga_it_lsolve.F1 logical function ga_iter_lsolve(n, maxiter, maxsub, tol,
11 integer maxsub ! Maximum dimension of iterative subspace
90 if (maxsub .gt. maxdim) call errquit
125 if (.not. ga_create(MT_DBL, n, maxsub, 'ga_iter_lsolve: x', 0,
126 $ maxsub, g_x))
127 $ call errquit('ga_iter_lsolve: ga_create of x', maxsub,
130 if (.not. ga_create(MT_DBL, n, maxsub, 'ga_iter_lsolve: p', 0,
131 $ maxsub, g_p))
132 $ call errquit('ga_iter_lsolve: ga_create of p', maxsub,
285 if (nsub .lt. maxsub) then
H A Dga_lkain_2cpl3.F70 integer iter, n, n2, nvec, nsub, isub, type, maxsub,
129 if (maxsub .lt. 3*nvec) maxsub = 3*nvec
130 maxsub = (maxsub/nvec)*nvec
133 write(6,1) n2, nvec, maxsub, tol, util_wallsec()
420 if (nsub .eq. maxsub) then
421 do isub = nvec+1, maxsub, nvec
686 if (maxsub .lt. 3*nvec) maxsub = 3*nvec
687 maxsub = (maxsub/nvec)*nvec
1316 write(*,17) iter,nsub,maxsub,nvec,n4
1327 if (nsub .eq. maxsub) then
[all …]
H A Dga_iter_diag.F1 logical function ga_iter_diag(n, nroot, maxiter, maxsub, tol,
12 integer maxsub ! Maximum dimension of iterative subspace
96 if (maxsub .gt. maxdim) call errquit
98 if (maxsub .lt. nroot+2) call errquit
104 if (.not. ga_create(MT_DBL, n, maxsub, 'ga_iter_diag: x', 0,
106 $ call errquit('ga_iter_diag: ga_create of x', maxsub, GA_ERR)
108 if (.not. ga_create(MT_DBL, n, maxsub, 'ga_iter_diag: p', 0,
110 $ call errquit('ga_iter_diag: ga_create of p', maxsub, GA_ERR)
324 if (nsub+croot .ge. maxsub)nsub=maxsub-croot
H A Dga_it_proj.F2 subroutine ga_init_project(n, nroot, maxiter, maxsub, tol,
12 integer maxsub
44 if (.not. ga_iter_diag(n, nroot, maxiter, maxsub, tol,
/dports/science/nwchem-data/nwchem-7.0.2-release/src/util/
H A Dga_lkain_ext.F63 integer iter, n, nvec, nsub, isub, type, maxsub
78 maxsub = mmaxsub ! So don't modify input scalar arg
79 if (maxsub .lt. 3*nvec) maxsub = 3*nvec
80 maxsub = (maxsub/nvec)*nvec
86 if ((100*maxsub).lt.n) then
94 write(6,1) n, nvec, maxsub, maxiter, tol, util_wallsec()
105 if (.not. ga_create(MT_DBL, n, maxsub, 'lkain: Y',
107 $ call errquit('lkain: failed allocating subspace', maxsub,
109 if (.not. ga_create(MT_DBL, n, maxsub, 'lkain: Ay',
318 if (nsub .eq. maxsub) then
[all …]
H A Dga_it2.F175 maxsub = 4*nvec
225 maxsub = 10
231 $ maxsub, maxiter,
245 maxsub = 4*nvec
311 maxsub = 10
317 $ maxsub, maxiter,
479 if (maxsub .lt. 3*nvec) maxsub = 3*nvec
480 maxsub = (maxsub/nvec)*nvec
802 $ maxsub, maxiter,
856 if (maxsub .gt. maxmaxsub) maxsub = maxmaxsub
[all …]
H A Dga_it_lsolve.F1 logical function ga_iter_lsolve(n, maxiter, maxsub, tol,
11 integer maxsub ! Maximum dimension of iterative subspace
90 if (maxsub .gt. maxdim) call errquit
125 if (.not. ga_create(MT_DBL, n, maxsub, 'ga_iter_lsolve: x', 0,
126 $ maxsub, g_x))
127 $ call errquit('ga_iter_lsolve: ga_create of x', maxsub,
130 if (.not. ga_create(MT_DBL, n, maxsub, 'ga_iter_lsolve: p', 0,
131 $ maxsub, g_p))
132 $ call errquit('ga_iter_lsolve: ga_create of p', maxsub,
285 if (nsub .lt. maxsub) then
H A Dga_lkain_2cpl3.F70 integer iter, n, n2, nvec, nsub, isub, type, maxsub,
129 if (maxsub .lt. 3*nvec) maxsub = 3*nvec
130 maxsub = (maxsub/nvec)*nvec
133 write(6,1) n2, nvec, maxsub, tol, util_wallsec()
420 if (nsub .eq. maxsub) then
421 do isub = nvec+1, maxsub, nvec
686 if (maxsub .lt. 3*nvec) maxsub = 3*nvec
687 maxsub = (maxsub/nvec)*nvec
1316 write(*,17) iter,nsub,maxsub,nvec,n4
1327 if (nsub .eq. maxsub) then
[all …]
H A Dga_iter_diag.F1 logical function ga_iter_diag(n, nroot, maxiter, maxsub, tol,
12 integer maxsub ! Maximum dimension of iterative subspace
96 if (maxsub .gt. maxdim) call errquit
98 if (maxsub .lt. nroot+2) call errquit
104 if (.not. ga_create(MT_DBL, n, maxsub, 'ga_iter_diag: x', 0,
106 $ call errquit('ga_iter_diag: ga_create of x', maxsub, GA_ERR)
108 if (.not. ga_create(MT_DBL, n, maxsub, 'ga_iter_diag: p', 0,
110 $ call errquit('ga_iter_diag: ga_create of p', maxsub, GA_ERR)
324 if (nsub+croot .ge. maxsub)nsub=maxsub-croot
H A Dga_it_proj.F2 subroutine ga_init_project(n, nroot, maxiter, maxsub, tol,
12 integer maxsub
44 if (.not. ga_iter_diag(n, nroot, maxiter, maxsub, tol,
/dports/net/chrony/chrony-4.2/test/unit/
H A Daddrfilt.c29 int i, j, sub, maxsub; in test_unit() local
38 maxsub = 32; in test_unit()
41 maxsub = 128; in test_unit()
47 sub = random() % (maxsub + 1); in test_unit()
53 if (sub < maxsub) { in test_unit()
/dports/net/chrony-lite/chrony-4.2/test/unit/
H A Daddrfilt.c29 int i, j, sub, maxsub; in test_unit() local
38 maxsub = 32; in test_unit()
41 maxsub = 128; in test_unit()
47 sub = random() % (maxsub + 1); in test_unit()
53 if (sub < maxsub) { in test_unit()
/dports/math/parmetis/parmetis-4.0.3/metis/programs/
H A Dsmbfactor.c24 idx_t i, j, k, nvtxs, maxlnz, maxsub; in ComputeFillIn() local
37 maxsub = 8*(nvtxs+xadj[nvtxs]); in ComputeFillIn()
52 nzsub = imalloc(maxsub+1, "ComputeFillIn: nzsub"); in ComputeFillIn()
56 if (smbfct(nvtxs, xadj, adjncy, perm, iperm, xlnz, &maxlnz, xnzsub, nzsub, &maxsub)) { in ComputeFillIn()
60 maxsub *= 2; in ComputeFillIn()
61 nzsub = imalloc(maxsub+1, "ComputeFillIn: nzsub"); in ComputeFillIn()
62 if (smbfct(nvtxs, xadj, adjncy, perm, iperm, xlnz, &maxlnz, xnzsub, nzsub, &maxsub)) in ComputeFillIn()
113 idx_t *maxsub) in smbfct() argument
274 if (nzend >= *maxsub) { in smbfct()
311 *maxsub = xnzsub[neqns]; in smbfct()
/dports/math/py-PyMetis/PyMetis-2020.1/src/metis/programs/
H A Dsmbfactor.c24 idx_t i, j, k, nvtxs, maxlnz, maxsub; in ComputeFillIn() local
37 maxsub = 8*(nvtxs+xadj[nvtxs]); in ComputeFillIn()
52 nzsub = imalloc(maxsub+1, "ComputeFillIn: nzsub"); in ComputeFillIn()
56 if (smbfct(nvtxs, xadj, adjncy, perm, iperm, xlnz, &maxlnz, xnzsub, nzsub, &maxsub)) { in ComputeFillIn()
60 maxsub *= 2; in ComputeFillIn()
61 nzsub = imalloc(maxsub+1, "ComputeFillIn: nzsub"); in ComputeFillIn()
62 if (smbfct(nvtxs, xadj, adjncy, perm, iperm, xlnz, &maxlnz, xnzsub, nzsub, &maxsub)) in ComputeFillIn()
113 idx_t *maxsub) in smbfct() argument
274 if (nzend >= *maxsub) { in smbfct()
311 *maxsub = xnzsub[neqns]; in smbfct()
/dports/math/metis/metis-5.1.0/programs/
H A Dsmbfactor.c24 idx_t i, j, k, nvtxs, maxlnz, maxsub; in ComputeFillIn() local
37 maxsub = 8*(nvtxs+xadj[nvtxs]); in ComputeFillIn()
52 nzsub = imalloc(maxsub+1, "ComputeFillIn: nzsub"); in ComputeFillIn()
56 if (smbfct(nvtxs, xadj, adjncy, perm, iperm, xlnz, &maxlnz, xnzsub, nzsub, &maxsub)) { in ComputeFillIn()
60 maxsub *= 2; in ComputeFillIn()
61 nzsub = imalloc(maxsub+1, "ComputeFillIn: nzsub"); in ComputeFillIn()
62 if (smbfct(nvtxs, xadj, adjncy, perm, iperm, xlnz, &maxlnz, xnzsub, nzsub, &maxsub)) in ComputeFillIn()
113 idx_t *maxsub) in smbfct() argument
274 if (nzend >= *maxsub) { in smbfct()
311 *maxsub = xnzsub[neqns]; in smbfct()
/dports/science/madness/madness-ebb3fd7/src/apps/chem/
H A DCalculationParameters.h80 unsigned int maxsub; ///< Size of iterative subspace ... set to 0 or 1 to disable member
144 …& restart & restartao & save & no_compute &no_orient & maxsub & orbitalshift & npt_plot & plot_cel… in serialize()
178 , maxsub(5) in CalculationParameters()
362 f >> maxsub; in read()
363 if (maxsub <= 0) maxsub = 1; in read()
364 if (maxsub > 20) maxsub = 20; in read()
567 madness::print(" max krylov subspace ", maxsub); in print()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/mrpt/fci/
H A Dfci_davids.F4 logical function fci_davids(n, nroot, maxiter, maxsub, tol,
11 integer maxsub ! [input] Maximum dimension of iterative subspace
44 if (maxsub .gt. maxdim) call fci_err
46 if (maxsub .lt. nroot+2) call fci_err
47 $ ('fci_davids: subspace too small', maxsub)
56 isbuf = icbuf + maxsub*buflen
57 irbuf = isbuf + maxsub*buflen
126 if (nsub .eq. maxsub) then
/dports/science/nwchem-data/nwchem-7.0.2-release/src/mrpt/fci/
H A Dfci_davids.F4 logical function fci_davids(n, nroot, maxiter, maxsub, tol,
11 integer maxsub ! [input] Maximum dimension of iterative subspace
44 if (maxsub .gt. maxdim) call fci_err
46 if (maxsub .lt. nroot+2) call fci_err
47 $ ('fci_davids: subspace too small', maxsub)
56 isbuf = icbuf + maxsub*buflen
57 irbuf = isbuf + maxsub*buflen
126 if (nsub .eq. maxsub) then
/dports/science/madness/madness-ebb3fd7/src/apps/moldft/fci/
H A Dfci_davids.F4 logical function fci_davids(n, nroot, maxiter, maxsub, tol,
11 integer maxsub ! [input] Maximum dimension of iterative subspace
44 if (maxsub .gt. maxdim) call fci_err
46 if (maxsub .lt. nroot+2) call fci_err
47 $ ('fci_davids: subspace too small', maxsub)
56 isbuf = icbuf + maxsub*buflen
57 irbuf = isbuf + maxsub*buflen
126 if (nsub .eq. maxsub) then
/dports/science/madness/madness-ebb3fd7/src/apps/hf/
H A Delectronicstructureparams.h86 unsigned int maxsub; member
123 maxocc & kpoints & fractional & maxsub & in serialize()
151 maxsub = 1; in ElectronicStructureParams()
251 f >> maxsub; in read_file()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/
H A Dscf_input.F16 integer maxiter, poff, nopen, task_chunks, task_bf, maxsub
226 if (.not. inp_i(maxsub)) call errquit
228 if (.not. rtdb_put(rtdb,'scf:maxsub',MT_INT, 1, maxsub))
260 if (.not. inp_i(maxsub)) call errquit
262 if (.not. rtdb_put(rtdb,'scf:diisbas',MT_INT, 1, maxsub))

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