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/dports/multimedia/v4l_compat/linux-5.13-rc2/drivers/infiniband/hw/hfi1/
H A Dcommon.h350 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 …]
H A Ddriver.c206 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 …]
/dports/multimedia/v4l-utils/linux-5.13-rc2/drivers/infiniband/hw/hfi1/
H A Dcommon.h350 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 …]
H A Ddriver.c206 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 …]
/dports/multimedia/libv4l/linux-5.13-rc2/drivers/infiniband/hw/hfi1/
H A Dcommon.h350 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 …]
H A Ddriver.c206 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 …]
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/scf/test/
H A Dtest_h2o_vdz.py41 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 …]
H A Dtest_he.py40 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)
H A Dtest_h2o.py51 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 …]
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/grad/
H A Drohf.py26 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)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/contrib/fde/freeze_thaw_example/
H A Dfreeze_thaw.sh4 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`
/dports/science/nwchem-data/nwchem-7.0.2-release/contrib/fde/freeze_thaw_example/
H A Dfreeze_thaw.sh4 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`
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/grad/test/
H A Dtest_hf.py44 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)
H A Dtest_h2o.py69 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)
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/cc/test/
H A Dtest_bz.py47 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)
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/ao2mo/test/
H A Dbz_nr.py46 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:]
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/pbc/tdscf/
H A Drhf.py24 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)
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/solvent/
H A D__init__.py41 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)):
/dports/science/qmcpack/qmcpack-3.11.0/examples/afqmc/05-N2_phmsd/
H A Dscf.py16 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)
/dports/science/py-pyscf/pyscf-2.0.1/examples/scf/
H A D56-h2_symm_breaking.py41 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()
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/tdscf/
H A D__init__.py19 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)
/dports/science/qmcpack/qmcpack-3.11.0/examples/afqmc/04-N2_nomsd/
H A Dscf.py20 rhf = scf.RHF(mol) variable
21 rhf.chkfile = 'scf.chk'
22 rhf.kernel()
34 nmo = rhf.mo_coeff.shape[1]
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/hessian/
H A D__init__.py19 from pyscf.hessian import rhf
21 from pyscf.hessian.rhf import Hessian as RHF
23 from pyscf.hessian.rhf import hess_nuc
/dports/science/bagel/bagel-1.2.2/src/scf/hf/
H A Dfock.h40 …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) {
/dports/science/bagel/bagel-1.2.2/src/scf/giaohf/
H A Dfock_london.h39 …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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