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Searched defs:kshift (Results 1 – 25 of 156) sorted by relevance

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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/cc/
H A Deom_kccsd_ghf.py330 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 …]
H A Deom_kccsd_rhf.py39 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 …]
H A Deom_kccsd_rhf_ip.py42 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
H A Deom_kccsd_uhf.py43 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)
H A Dkccsd_rhf.py653 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
/dports/math/petanque/arybo-release-1.1.0/petanque/third-party/boost/mpl/aux_/preprocessed/no_ttp/
H A Dshift_left.hpp43 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()
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/ci/
H A Dkcis_rhf.py128 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
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/cc/test/
H A Dtest_kgccsd.py84 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
H A Dtest_eom_kuccsd_diag.py36 def _test_ip_diag(self,kmf,kshift=0): argument
62 def _test_ea_diag(self,kmf,kshift=0): argument
H A Dtest_krccsd.py127 def _run_ip_matvec(cc, r1, r2, kshift): argument
134 def _run_ea_matvec(cc, r1, r2, kshift): argument
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/makepsi/
H A Dwvfnc_expand_cell.F178 subroutine wvfnc_expand_cell_convert(ishift,jshift,kshift, argument
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/makepsi/
H A Dwvfnc_expand_cell.F178 subroutine wvfnc_expand_cell_convert(ishift,jshift,kshift, argument
/dports/science/berkeleygw/BGW-2.0.0/MeanField/ESPRESSO/
H A Ddata-file2kgrid.py12 def create_kgrid_inp(datafile, f_kgrid, kgrid, kshift, qshift, use_trs, argument
/dports/science/hypre/hypre-2.23.0/src/sstruct_ls/
H A Dmaxwell_PNedelec_bdy.c40 hypre_Index varoffset, ishift, jshift, kshift; in hypre_Maxwell_PNedelec_Bdy() local
/dports/science/berkeleygw/BGW-2.0.0/Common/
H A Dcheckbz.f9048 subroutine checkbz(nfk,fk,kgrid,kshift,bdot, & argument
53 real(DP), intent(in) :: kshift(3) local
/dports/math/R-cran-nloptr/nloptr/src/nlopt_src/util/
H A Dredblack.c421 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()
/dports/math/nlopt/nlopt-2.7.1/src/util/
H A Dredblack.c446 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()
/dports/science/healpix/Healpix_3.50/src/java/src/healpix/essentials/
H A DHealpixBase.java98 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
/dports/math/R-cran-nloptr/nloptr/src/nlopt_src/cdirect/
H A Dcdirect.c296 double kshift[2]; in convex_hull() local
313 double kshift[2]; in convex_hull() local
329 double kshift[2]; in convex_hull() local
/dports/math/nlopt/nlopt-2.7.1/src/algs/cdirect/
H A Dcdirect.c296 double kshift[2]; in convex_hull() local
313 double kshift[2]; in convex_hull() local
329 double kshift[2]; in convex_hull() local
/dports/emulators/qemu60/qemu-6.0.0/
H A Dqemu-keymap.c63 xkb_keysym_t kbase, knumlock, kshift, kaltgr, kaltgrshift; in walk_map() local
/dports/emulators/qemu42/qemu-4.2.1/
H A Dqemu-keymap.c63 xkb_keysym_t kbase, knumlock, kshift, kaltgr, kaltgrshift; in walk_map() local
/dports/emulators/qemu/qemu-6.2.0/
H A Dqemu-keymap.c63 xkb_keysym_t kbase, knumlock, kshift, kaltgr, kaltgrshift; in walk_map() local
/dports/security/scanssh/scanssh-2.1/
H A Dexclude.c94 int i, left, right, kshift; in rndgetaddr() local
/dports/emulators/qemu5/qemu-5.2.0/
H A Dqemu-keymap.c63 xkb_keysym_t kbase, knumlock, kshift, kaltgr, kaltgrshift; in walk_map() local

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