/dports/multimedia/v4l_compat/linux-5.13-rc2/drivers/infiniband/hw/hfi1/ |
H A D | common.h | 350 static inline u64 rhf_err_flags(u64 rhf) in rhf_err_flags() argument 352 return rhf & RHF_ERROR_SMASK; in rhf_err_flags() 355 static inline u32 rhf_rcv_type(u64 rhf) in rhf_rcv_type() argument 366 static inline u32 rhf_pkt_len(u64 rhf) in rhf_pkt_len() argument 371 static inline u32 rhf_egr_index(u64 rhf) in rhf_egr_index() argument 376 static inline u32 rhf_rcv_seq(u64 rhf) in rhf_rcv_seq() argument 382 static inline u32 rhf_hdrq_offset(u64 rhf) in rhf_hdrq_offset() argument 387 static inline u64 rhf_use_egr_bfr(u64 rhf) in rhf_use_egr_bfr() argument 389 return rhf & RHF_USE_EGR_BFR_SMASK; in rhf_use_egr_bfr() 392 static inline u64 rhf_dc_info(u64 rhf) in rhf_dc_info() argument [all …]
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H A D | driver.c | 206 u32 idx = rhf_egr_index(rhf), offset = rhf_egr_buf_offset(rhf); in get_egrbuf() 265 if ((packet->rhf & RHF_DC_ERR) && in rcv_hdrerr() 269 if (packet->rhf & RHF_ICRC_ERR) in rcv_hdrerr() 288 if (packet->rhf & RHF_TID_ERR) { in rcv_hdrerr() 631 u64 rhf = rhf_to_cpu(rhf_addr); in __prescan_rxq() local 635 if (ps_done(&mdata, rhf, rcd)) in __prescan_rxq() 638 if (ps_skip(&mdata, rhf, rcd)) in __prescan_rxq() 1657 rcd->ctxt, packet->rhf, in show_eflags_errs() 1673 if (rhf_err_flags(packet->rhf)) in handle_eflags() 1815 packet->rhf & RHF_DC_ERR))) in process_receive_error() [all …]
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/dports/multimedia/v4l-utils/linux-5.13-rc2/drivers/infiniband/hw/hfi1/ |
H A D | common.h | 350 static inline u64 rhf_err_flags(u64 rhf) in rhf_err_flags() argument 352 return rhf & RHF_ERROR_SMASK; in rhf_err_flags() 355 static inline u32 rhf_rcv_type(u64 rhf) in rhf_rcv_type() argument 366 static inline u32 rhf_pkt_len(u64 rhf) in rhf_pkt_len() argument 371 static inline u32 rhf_egr_index(u64 rhf) in rhf_egr_index() argument 376 static inline u32 rhf_rcv_seq(u64 rhf) in rhf_rcv_seq() argument 382 static inline u32 rhf_hdrq_offset(u64 rhf) in rhf_hdrq_offset() argument 387 static inline u64 rhf_use_egr_bfr(u64 rhf) in rhf_use_egr_bfr() argument 389 return rhf & RHF_USE_EGR_BFR_SMASK; in rhf_use_egr_bfr() 392 static inline u64 rhf_dc_info(u64 rhf) in rhf_dc_info() argument [all …]
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H A D | driver.c | 206 u32 idx = rhf_egr_index(rhf), offset = rhf_egr_buf_offset(rhf); in get_egrbuf() 265 if ((packet->rhf & RHF_DC_ERR) && in rcv_hdrerr() 269 if (packet->rhf & RHF_ICRC_ERR) in rcv_hdrerr() 288 if (packet->rhf & RHF_TID_ERR) { in rcv_hdrerr() 631 u64 rhf = rhf_to_cpu(rhf_addr); in __prescan_rxq() local 635 if (ps_done(&mdata, rhf, rcd)) in __prescan_rxq() 638 if (ps_skip(&mdata, rhf, rcd)) in __prescan_rxq() 1657 rcd->ctxt, packet->rhf, in show_eflags_errs() 1673 if (rhf_err_flags(packet->rhf)) in handle_eflags() 1815 packet->rhf & RHF_DC_ERR))) in process_receive_error() [all …]
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/dports/multimedia/libv4l/linux-5.13-rc2/drivers/infiniband/hw/hfi1/ |
H A D | common.h | 350 static inline u64 rhf_err_flags(u64 rhf) in rhf_err_flags() argument 352 return rhf & RHF_ERROR_SMASK; in rhf_err_flags() 355 static inline u32 rhf_rcv_type(u64 rhf) in rhf_rcv_type() argument 366 static inline u32 rhf_pkt_len(u64 rhf) in rhf_pkt_len() argument 371 static inline u32 rhf_egr_index(u64 rhf) in rhf_egr_index() argument 376 static inline u32 rhf_rcv_seq(u64 rhf) in rhf_rcv_seq() argument 382 static inline u32 rhf_hdrq_offset(u64 rhf) in rhf_hdrq_offset() argument 387 static inline u64 rhf_use_egr_bfr(u64 rhf) in rhf_use_egr_bfr() argument 389 return rhf & RHF_USE_EGR_BFR_SMASK; in rhf_use_egr_bfr() 392 static inline u64 rhf_dc_info(u64 rhf) in rhf_dc_info() argument [all …]
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H A D | driver.c | 206 u32 idx = rhf_egr_index(rhf), offset = rhf_egr_buf_offset(rhf); in get_egrbuf() 265 if ((packet->rhf & RHF_DC_ERR) && in rcv_hdrerr() 269 if (packet->rhf & RHF_ICRC_ERR) in rcv_hdrerr() 288 if (packet->rhf & RHF_TID_ERR) { in rcv_hdrerr() 631 u64 rhf = rhf_to_cpu(rhf_addr); in __prescan_rxq() local 635 if (ps_done(&mdata, rhf, rcd)) in __prescan_rxq() 638 if (ps_skip(&mdata, rhf, rcd)) in __prescan_rxq() 1657 rcd->ctxt, packet->rhf, in show_eflags_errs() 1673 if (rhf_err_flags(packet->rhf)) in handle_eflags() 1815 packet->rhf & RHF_DC_ERR))) in process_receive_error() [all …]
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/scf/test/ |
H A D | test_h2o_vdz.py | 41 rhf = scf.RHF(mol) 42 rhf.conv_tol = 1e-11 68 rhf.conv_tol = 1e-11 93 rhf = scf.RHF(mol) 94 rhf.conv_tol = 1e-11 95 rhf.max_memory = 0 105 rhf = scf.RHF(mol) 106 rhf.conv_tol = 1e-11 107 rhf.max_memory = 0 108 rhf.direct_scf = False [all …]
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H A D | test_he.py | 40 rhf = scf.RHF(mol) 41 h1e = rhf.get_hcore(mol) 42 s1e = rhf.get_ovlp(mol) 43 e, c = rhf.eig(h1e, s1e) 47 rhf = scf.RHF(mol) 48 rhf.conv_tol = 1e-10 49 self.assertAlmostEqual(rhf.scf(), -2.8551604772427379, 10)
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H A D | test_h2o.py | 51 rhf = scf.RHF(mol) 52 rhf.conv_tol = 1e-11 82 rhf.conv_tol = 1e-11 108 rhf = scf.RHF(mol) 109 rhf.conv_tol = 1e-11 110 rhf.max_memory = 0 120 rhf = scf.RHF(mol) 121 rhf.conv_tol = 1e-11 122 rhf.max_memory = 0 123 rhf.direct_scf = False [all …]
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/grad/ |
H A D | rohf.py | 26 from pyscf.grad import rhf as rhf_grad 76 rhf = scf.ROHF(mol) variable 77 rhf.conv_tol = 1e-14 78 e0 = rhf.scf() 79 g = Gradients(rhf) 94 rhf = scf.ROHF(mol) variable 95 rhf.conv_tol = 1e-14 96 e0 = rhf.scf() 97 g = Gradients(rhf)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/fde/freeze_thaw_example/ |
H A D | freeze_thaw.sh | 4 mpirun -np 4 ~/Programs/nwchem-dev-new-build/bin/LINUX64/./nwchem dimer.nw > dimer.out.rhf; 5 mpirun -np 4 ~/Programs/nwchem-dev-new-build/bin/LINUX64/./nwchem first.nw > first.out.rhf; 6 rm h2o*.out.rhf 14 mpirun -np 4 ~/Programs/nwchem-dev-new-build/bin/LINUX64/./nwchem h2o2.nw > h2o2.out.rhf; 15 mpirun -np 4 ~/Programs/nwchem-dev-new-build/bin/LINUX64/./nwchem h2o1.nw > h2o1.out.rhf; 16 export how_many_iterations=`grep " d=" h2o1.out.rhf h2o2.out.rhf | wc -l`
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/dports/science/nwchem-data/nwchem-7.0.2-release/contrib/fde/freeze_thaw_example/ |
H A D | freeze_thaw.sh | 4 mpirun -np 4 ~/Programs/nwchem-dev-new-build/bin/LINUX64/./nwchem dimer.nw > dimer.out.rhf; 5 mpirun -np 4 ~/Programs/nwchem-dev-new-build/bin/LINUX64/./nwchem first.nw > first.out.rhf; 6 rm h2o*.out.rhf 14 mpirun -np 4 ~/Programs/nwchem-dev-new-build/bin/LINUX64/./nwchem h2o2.nw > h2o2.out.rhf; 15 mpirun -np 4 ~/Programs/nwchem-dev-new-build/bin/LINUX64/./nwchem h2o1.nw > h2o1.out.rhf; 16 export how_many_iterations=`grep " d=" h2o1.out.rhf h2o2.out.rhf | wc -l`
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/grad/test/ |
H A D | test_hf.py | 44 rhf = scf.RHF(mol) 45 rhf.conv_tol = 1e-14 46 rhf.scf() 47 g = grad.RHF(rhf) 61 rhf = scf.RHF(mol) 62 rhf.scf() 63 g = grad.RHF(rhf) 67 rhf = scf.RHF(mol) 68 rhf.set(conv_tol=1e-10).scf() 69 mycc = cc.CCSD(rhf)
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H A D | test_h2o.py | 69 rhf = scf.RHF(h2o) 70 rhf.conv_tol = 1e-14 71 rhf.kernel() 72 g = grad.RHF(rhf) 97 rhf = scf.RHF(h2o) 98 g = grad.RHF(rhf) 103 rhf = scf.RHF(h2o) 104 rhf.kernel() 105 mycc = cc.CCSD(rhf)
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/cc/test/ |
H A D | test_bz.py | 47 rhf = scf.RHF(mol) variable 48 rhf.conv_tol = 1e-14 49 rhf.scf() 52 global mol, rhf 53 del mol, rhf 58 mcc = cc.ccsd.CC(rhf)
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/ao2mo/test/ |
H A D | bz_nr.py | 46 rhf = scf.RHF(mol) variable 47 print('E_RHF =', rhf.scf()) 59 co = rhf.mo_coeff[:,:nocc] 60 cv = rhf.mo_coeff[:,nocc:] 65 eia = rhf.mo_energy[:nocc].reshape(nocc,1) - rhf.mo_energy[nocc:]
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/tdscf/ |
H A D | rhf.py | 24 from pyscf.tdscf import rhf 27 class TDA(rhf.TDA): 29 vind, hdiag = rhf.TDA.gen_vind(self, mf) 41 class TDHF(rhf.TDHF): 43 vind, hdiag = rhf.TDHF.gen_vind(self, mf)
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/solvent/ |
H A D | __init__.py | 41 elif isinstance(method_or_mol, (tdscf.rhf.TDA, tdscf.rhf.TDHF)): 72 elif isinstance(method_or_mol, (tdscf.rhf.TDA, tdscf.rhf.TDHF)): 110 elif isinstance(method_or_mol, (tdscf.rhf.TDA, tdscf.rhf.TDHF)):
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/dports/science/qmcpack/qmcpack-3.11.0/examples/afqmc/05-N2_phmsd/ |
H A D | scf.py | 16 rhf = scf.RHF(mol) 17 rhf.chkfile = 'scf.chk' 18 rhf.kernel() 26 nmo = rhf.mo_coeff.shape[-1] 27 mc = mcscf.CASSCF(rhf, M, N)
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/dports/science/py-pyscf/pyscf-2.0.1/examples/scf/ |
H A D | 56-h2_symm_breaking.py | 41 mo_energy, mo_coeff = rhf.eig(h1e, s1e) 42 mo_occ = rhf.get_occ(mo_energy=mo_energy, mo_coeff=mo_coeff) 81 rhf = scf.RHF(mol) variable 83 erhf.append(rhf.kernel(dm)) 85 dm = rhf.make_rdm1()
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/tdscf/ |
H A D | __init__.py | 19 from pyscf.tdscf import rhf 21 from pyscf.tdscf.rhf import TDRHF 42 return rhf.TDHF(mf) 56 return rhf.TDA(mf) 70 return rhf.TDHF(mf)
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/dports/science/qmcpack/qmcpack-3.11.0/examples/afqmc/04-N2_nomsd/ |
H A D | scf.py | 20 rhf = scf.RHF(mol) variable 21 rhf.chkfile = 'scf.chk' 22 rhf.kernel() 34 nmo = rhf.mo_coeff.shape[1]
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/hessian/ |
H A D | __init__.py | 19 from pyscf.hessian import rhf 21 from pyscf.hessian.rhf import Hessian as RHF 23 from pyscf.hessian.rhf import hess_nuc
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/dports/science/bagel/bagel-1.2.2/src/scf/hf/ |
H A D | fock.h | 40 …void fock_two_electron_part_with_coeff(const MatView coeff, const bool rhf, const double scale_ex,… 59 …const MatView ocoeff, const bool store = false, const bool rhf = false, const double scale_ex = 1.… 61 fock_two_electron_part_with_coeff(ocoeff, rhf, scale_ex, scale_coulomb); in Fock_base() 67 …std::shared_ptr<T> ocoeff, const bool store = false, const bool rhf = false, const double scale_ex… 68 : Fock(a,prev,den,*ocoeff,store,rhf,scale_ex,scale_coulomb) {
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/dports/science/bagel/bagel-1.2.2/src/scf/giaohf/ |
H A D | fock_london.h | 39 …void fock_two_electron_part_with_coeff(const ZMatView coeff, const bool rhf, const double scale_ex… 58 …const ZMatView ocoeff, const bool store = false, const bool rhf = false, const double scale_ex = 1… 60 fock_two_electron_part_with_coeff(ocoeff, rhf, scale_ex); in Fock_base_London() 66 …, const bool store = false, const bool rhf = false, const double scale_ex = 1.0) : Fock_London(a,b…
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