/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/cc/ |
H A D | eom_kccsd_ghf.py | 330 def amplitudes_to_vector_ip(r1, r2, kshift, kconserv): argument 338 def ipccsd_matvec(eom, vector, kshift, imds=None, diag=None): argument 441 def ipccsd_diag(eom, kshift, imds=None): argument 663 def mask_frozen_ip(eom, vector, kshift, const=LARGE_DENOM): argument 865 def amplitudes_to_vector_ea(r1, r2, kshift, kconserv): argument 1002 def eaccsd_diag(eom, kshift, imds=None): argument 1548 def eeccsd_diag(eom, kshift, imds=None): argument 1655 def amplitudes_to_vector_ee(r1, r2, kshift, kconserv): argument 1708 def vector_size(self, kshift=0): argument 1788 def get_kconserv_ee_r1(self, kshift=0): argument [all …]
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H A D | eom_kccsd_rhf.py | 39 def ipccsd_matvec(eom, vector, kshift, imds=None, diag=None): argument 106 def lipccsd_matvec(eom, vector, kshift, imds=None, diag=None): argument 166 def ipccsd_diag(eom, kshift, imds=None, diag=None): argument 401 def vector_to_amplitudes(self, vector, kshift=None): argument 571 def eaccsd_diag(eom, kshift, imds=None, diag=None): argument 800 def vector_to_amplitudes(self, vector, kshift=None): argument 1223 def eeccsd_diag(eom, kshift=0, imds=None): argument 1414 def vector_size(self, kshift=0): argument 1430 def vector_size(self, kshift=0): argument 1483 def vector_size(self, kshift=0): argument [all …]
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H A D | eom_kccsd_rhf_ip.py | 42 def amplitudes_to_vector(cc_or_eom, t1, t2, kshift=0, kconserv=None): argument 54 def vector_to_amplitudes(cc_or_eom, vec, kshift=0): argument 74 def vector_size(cc_or_eom, kshift=0): argument
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H A D | eom_kccsd_uhf.py | 43 def amplitudes_to_vector_ip(r1, r2, kshift, kconserv): 54 r2bbb = r2bbb.transpose(0,2,1,3,4).reshape(nkpts*noccb,nkpts*noccb,nvirb) 74 idxb, idyb = np.tril_indices(nkpts*noccb, -1)
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H A D | kccsd_rhf.py | 653 def ipccsd_matvec(self, vector, kshift): argument 661 def ipccsd_diag(self, kshift): argument 669 def eaccsd_matvec(self, vector, kshift): argument 677 def eaccsd_diag(self, kshift): argument
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/dports/math/petanque/arybo-release-1.1.0/petanque/third-party/boost/mpl/aux_/preprocessed/no_ttp/ |
H A D | shift_left.hpp | 43 template< typename U1, typename U2 > struct apply in amplitudes_to_vector_ip() 59 template< typename T > struct shift_left_tag in vector_to_amplitudes_ip() 96 struct shift_left_impl< integral_c_tag,integral_c_tag > in ipccsd_matvec()
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/ci/ |
H A D | kcis_rhf.py | 128 def cis_matvec_singlet(cis, vector, kshift, eris=None): argument 189 def cis_H(cis, kshift, eris=None): argument 273 def cis_diag(cis, kshift, eris=None): argument 411 def gen_matvec(self, kshift, eris=None, **kwargs): argument 430 def get_kconserv_r(self, kshift): argument
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/cc/test/ |
H A D | test_kgccsd.py | 84 def rand_r1_r2_ip(kmf, mycc, kshift): argument 101 def rand_r1_r2_ea(kmf, mycc, kshift): argument 140 def _run_ip_matvec(cc, r1, r2, kshift): argument 157 def _run_ea_matvec(cc, r1, r2, kshift): argument
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H A D | test_eom_kuccsd_diag.py | 36 def _test_ip_diag(self,kmf,kshift=0): argument 62 def _test_ea_diag(self,kmf,kshift=0): argument
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H A D | test_krccsd.py | 127 def _run_ip_matvec(cc, r1, r2, kshift): argument 134 def _run_ea_matvec(cc, r1, r2, kshift): argument
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/makepsi/ |
H A D | wvfnc_expand_cell.F | 178 subroutine wvfnc_expand_cell_convert(ishift,jshift,kshift, argument
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/makepsi/ |
H A D | wvfnc_expand_cell.F | 178 subroutine wvfnc_expand_cell_convert(ishift,jshift,kshift, argument
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/dports/science/berkeleygw/BGW-2.0.0/MeanField/ESPRESSO/ |
H A D | data-file2kgrid.py | 12 def create_kgrid_inp(datafile, f_kgrid, kgrid, kshift, qshift, use_trs, argument
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/dports/science/hypre/hypre-2.23.0/src/sstruct_ls/ |
H A D | maxwell_PNedelec_bdy.c | 40 hypre_Index varoffset, ishift, jshift, kshift; in hypre_Maxwell_PNedelec_Bdy() local
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/dports/science/berkeleygw/BGW-2.0.0/Common/ |
H A D | checkbz.f90 | 48 subroutine checkbz(nfk,fk,kgrid,kshift,bdot, & argument 53 real(DP), intent(in) :: kshift(3) local
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/dports/math/R-cran-nloptr/nloptr/src/nlopt_src/util/ |
H A D | redblack.c | 421 static void shift_keys(rb_node *n, ptrdiff_t kshift) /* assumes n != NIL */ in shift_keys() 427 void rb_tree_shift_keys(rb_tree *t, ptrdiff_t kshift) in rb_tree_shift_keys()
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/dports/math/nlopt/nlopt-2.7.1/src/util/ |
H A D | redblack.c | 446 static void shift_keys(rb_node * n, ptrdiff_t kshift) in shift_keys() 455 void nlopt_rb_tree_shift_keys(rb_tree * t, ptrdiff_t kshift) in nlopt_rb_tree_shift_keys()
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/dports/science/healpix/Healpix_3.50/src/java/src/healpix/essentials/ |
H A D | HealpixBase.java | 98 long nr=ris.ringpix>>>2, kshift=ris.shifted ? 0:1; in xyf2ring() local 112 long iring, iphi, kshift, nr; in ring2xyf() local 355 long kshift = 1-(ir&1); // kshift=1 if ir even, 0 otherwise in loc2pix() local
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/dports/math/R-cran-nloptr/nloptr/src/nlopt_src/cdirect/ |
H A D | cdirect.c | 296 double kshift[2]; in convex_hull() local 313 double kshift[2]; in convex_hull() local 329 double kshift[2]; in convex_hull() local
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/dports/math/nlopt/nlopt-2.7.1/src/algs/cdirect/ |
H A D | cdirect.c | 296 double kshift[2]; in convex_hull() local 313 double kshift[2]; in convex_hull() local 329 double kshift[2]; in convex_hull() local
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/dports/emulators/qemu60/qemu-6.0.0/ |
H A D | qemu-keymap.c | 63 xkb_keysym_t kbase, knumlock, kshift, kaltgr, kaltgrshift; in walk_map() local
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/dports/emulators/qemu42/qemu-4.2.1/ |
H A D | qemu-keymap.c | 63 xkb_keysym_t kbase, knumlock, kshift, kaltgr, kaltgrshift; in walk_map() local
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/dports/emulators/qemu/qemu-6.2.0/ |
H A D | qemu-keymap.c | 63 xkb_keysym_t kbase, knumlock, kshift, kaltgr, kaltgrshift; in walk_map() local
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/dports/security/scanssh/scanssh-2.1/ |
H A D | exclude.c | 94 int i, left, right, kshift; in rndgetaddr() local
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/dports/emulators/qemu5/qemu-5.2.0/ |
H A D | qemu-keymap.c | 63 xkb_keysym_t kbase, knumlock, kshift, kaltgr, kaltgrshift; in walk_map() local
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