提交: 3fe69fe385785d9f6d5e690254c75701824f9cd4 - sctk (git)

Superconducting Toolkit

Commit MetaInfo

• 修订版: 3fe69fe385785d9f6d5e690254c75701824f9cd4 (tree)
• 时间: 2016-04-25 05:41:57
• 作者: spigafi <spigafi@c92e...>
• Commiter: spigafi

Log Message

Refresh all reference outputs for PW and CP

git-svn-id: svn+ssh://qeforge.qe-forge.org/svnroot/q-e/trunk/espresso@12349 c92efa57-630b-4861-b058-cf58834340f0

更改概述

• modified: test-suite/README
• modified: test-suite/cp_h2o/benchmark.out.SVN.inp=h2o-mt-blyp-1.in
• modified: test-suite/cp_h2o/benchmark.out.SVN.inp=h2o-mt-blyp-2.in
• modified: test-suite/cp_h2o/benchmark.out.SVN.inp=h2o-mt-blyp-3.in
• modified: test-suite/cp_h2o/benchmark.out.SVN.inp=h2o-mt-blyp-4.in
• modified: test-suite/cp_o2/benchmark.out.SVN.inp=o2-us-para-pbe-1.in
• modified: test-suite/cp_o2/benchmark.out.SVN.inp=o2-us-para-pbe-2.in
• modified: test-suite/cp_o2/benchmark.out.SVN.inp=o2-us-para-pbe-3.in
• modified: test-suite/cp_o2/benchmark.out.SVN.inp=o2-us-para-pbe-4.in
• modified: test-suite/cp_o2/benchmark.out.SVN.inp=o2-us-para-pbe-5.in
• modified: test-suite/cp_o2/benchmark.out.SVN.inp=o2-us-para-pbe-6.in
• modified: test-suite/cp_si/benchmark.out.SVN.inp=si-vbc-lda-1.in
• modified: test-suite/cp_si/benchmark.out.SVN.inp=si-vbc-lda-2.in
• modified: test-suite/cp_si/benchmark.out.SVN.inp=si-vbc-lda-3.in
• modified: test-suite/cp_sio2/benchmark.out.SVN.inp=sio2-us-lda-1.in
• modified: test-suite/cp_sio2/benchmark.out.SVN.inp=sio2-us-lda-2.in
• modified: test-suite/cp_sio2/benchmark.out.SVN.inp=sio2-us-lda-3.in
• modified: test-suite/cp_sio2/benchmark.out.SVN.inp=sio2-us-lda-4.in
• modified: test-suite/pw_atom/benchmark.out.SVN.inp=atom-lsda.in
• modified: test-suite/pw_atom/benchmark.out.SVN.inp=atom-occ1.in
• modified: test-suite/pw_atom/benchmark.out.SVN.inp=atom-occ2.in
• modified: test-suite/pw_atom/benchmark.out.SVN.inp=atom-pbe.in
• modified: test-suite/pw_atom/benchmark.out.SVN.inp=atom-sigmapbe.in
• modified: test-suite/pw_atom/benchmark.out.SVN.inp=atom.in
• modified: test-suite/pw_b3lyp/benchmark.out.SVN.inp=b3lyp-O.in
• modified: test-suite/pw_b3lyp/benchmark.out.SVN.inp=b3lyp-h2o.in
• modified: test-suite/pw_berry/benchmark.out.SVN.inp=berry-1.in
• modified: test-suite/pw_berry/benchmark.out.SVN.inp=berry-2.in
• modified: test-suite/pw_berry/benchmark.out.SVN.inp=berry.in
• modified: test-suite/pw_cluster/benchmark.out.SVN.inp=cluster1.in
• modified: test-suite/pw_cluster/benchmark.out.SVN.inp=cluster2.in
• modified: test-suite/pw_cluster/benchmark.out.SVN.inp=cluster3.in
• modified: test-suite/pw_cluster/benchmark.out.SVN.inp=cluster4.in
• modified: test-suite/pw_dft/benchmark.out.SVN.inp=dft1.in
• modified: test-suite/pw_dft/benchmark.out.SVN.inp=dft10.in
• modified: test-suite/pw_dft/benchmark.out.SVN.inp=dft11.in
• modified: test-suite/pw_dft/benchmark.out.SVN.inp=dft2.in
• modified: test-suite/pw_dft/benchmark.out.SVN.inp=dft3.in
• modified: test-suite/pw_dft/benchmark.out.SVN.inp=dft4.in
• modified: test-suite/pw_dft/benchmark.out.SVN.inp=dft5.in
• modified: test-suite/pw_dft/benchmark.out.SVN.inp=dft6.in
• modified: test-suite/pw_dft/benchmark.out.SVN.inp=dft7.in
• modified: test-suite/pw_dft/benchmark.out.SVN.inp=dft8.in
• modified: test-suite/pw_dft/benchmark.out.SVN.inp=dft9.in
• modified: test-suite/pw_dipole/benchmark.out.SVN.inp=dipole.in
• modified: test-suite/pw_electric/benchmark.out.SVN.inp=electric0.in
• modified: test-suite/pw_electric/benchmark.out.SVN.inp=electric1.in
• modified: test-suite/pw_electric/benchmark.out.SVN.inp=electric2.in
• modified: test-suite/pw_eval/benchmark.out.SVN.inp=eval_infix-2.in
• modified: test-suite/pw_eval/benchmark.out.SVN.inp=eval_infix.in
• modified: test-suite/pw_gau-pbe/benchmark.out.SVN.inp=gau-pbe-si111.in
• modified: test-suite/pw_gau-pbe/benchmark.out.SVN.inp=gau-pbe-si222.in
• modified: test-suite/pw_gau-pbe/benchmark.out.SVN.inp=gau-pbe-si444.in
• modified: test-suite/pw_hse/benchmark.out.SVN.inp=hse-si111.in
• modified: test-suite/pw_hse/benchmark.out.SVN.inp=hse-si222.in
• modified: test-suite/pw_hse/benchmark.out.SVN.inp=hse-si444.in
• modified: test-suite/pw_langevin/benchmark.out.SVN.inp=langevin.in
• modified: test-suite/pw_langevin/benchmark.out.SVN.inp=langevin_smc.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav-12-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav-12.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav-5-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav-5.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav0-cell_parameters+a.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav0-cell_parameters+celldm.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav0-cell_parameters-ang.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav0-cell_parameters.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav1-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav1.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav10-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav10.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav11-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav11.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav12-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav12.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav13-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav13.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav14-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav14.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav2-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav2.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav3-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav3.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav4-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav4.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav5-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav5.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav6-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav6.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav7-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav7.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav8-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav8.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav9-kauto.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-ibrav9.in
• modified: test-suite/pw_lattice-ibrav/benchmark.out.SVN.inp=lattice-wyckoff-sio2.in
• modified: test-suite/pw_lda+U/benchmark.out.SVN.inp=lda+U-noU.in
• modified: test-suite/pw_lda+U/benchmark.out.SVN.inp=lda+U-user_ns.in
• modified: test-suite/pw_lda+U/benchmark.out.SVN.inp=lda+U.in
• modified: test-suite/pw_lda+U/benchmark.out.SVN.inp=lda+U_force.in
• modified: test-suite/pw_lda+U/benchmark.out.SVN.inp=lda+U_gamma.in
• modified: test-suite/pw_lda+U/benchmark.out.SVN.inp=lda+U_pseudo.in
• modified: test-suite/pw_lsda/benchmark.out.SVN.inp=lsda-2.in
• modified: test-suite/pw_lsda/benchmark.out.SVN.inp=lsda-cg.in
• modified: test-suite/pw_lsda/benchmark.out.SVN.inp=lsda-mixing_TF.in
• modified: test-suite/pw_lsda/benchmark.out.SVN.inp=lsda-mixing_localTF.in
• modified: test-suite/pw_lsda/benchmark.out.SVN.inp=lsda-mixing_ndim.in
• modified: test-suite/pw_lsda/benchmark.out.SVN.inp=lsda-nelup+neldw.in
• modified: test-suite/pw_lsda/benchmark.out.SVN.inp=lsda-tot_magnetization.in
• modified: test-suite/pw_lsda/benchmark.out.SVN.inp=lsda.in
• modified: test-suite/pw_md/benchmark.out.SVN.inp=md-pot_extrap1.in
• modified: test-suite/pw_md/benchmark.out.SVN.inp=md-pot_extrap2.in
• modified: test-suite/pw_md/benchmark.out.SVN.inp=md-wfc_extrap1.in
• modified: test-suite/pw_md/benchmark.out.SVN.inp=md-wfc_extrap2.in
• modified: test-suite/pw_md/benchmark.out.SVN.inp=md.in
• modified: test-suite/pw_metaGGA/benchmark.out.SVN.inp=metaGGA.in
• modified: test-suite/pw_metal/benchmark.out.SVN.inp=metal-2.in
• modified: test-suite/pw_metal/benchmark.out.SVN.inp=metal-fermi_dirac.in
• modified: test-suite/pw_metal/benchmark.out.SVN.inp=metal-gaussian.in
• modified: test-suite/pw_metal/benchmark.out.SVN.inp=metal-tetrahedra-2.in
• modified: test-suite/pw_metal/benchmark.out.SVN.inp=metal-tetrahedra.in
• modified: test-suite/pw_metal/benchmark.out.SVN.inp=metal.in
• modified: test-suite/pw_noncolin/benchmark.out.SVN.inp=noncolin-1.in
• modified: test-suite/pw_noncolin/benchmark.out.SVN.inp=noncolin-2.in
• modified: test-suite/pw_noncolin/benchmark.out.SVN.inp=noncolin-cg.in
• modified: test-suite/pw_noncolin/benchmark.out.SVN.inp=noncolin-constrain_angle.in
• modified: test-suite/pw_noncolin/benchmark.out.SVN.inp=noncolin-constrain_atomic.in
• modified: test-suite/pw_noncolin/benchmark.out.SVN.inp=noncolin-constrain_total.in
• modified: test-suite/pw_noncolin/benchmark.out.SVN.inp=noncolin-hyb.in
• modified: test-suite/pw_noncolin/benchmark.out.SVN.inp=noncolin.in
• modified: test-suite/pw_pawatom/benchmark.out.SVN.inp=paw-atom.in
• modified: test-suite/pw_pawatom/benchmark.out.SVN.inp=paw-atom_l=2.in
• modified: test-suite/pw_pawatom/benchmark.out.SVN.inp=paw-atom_lda.in
• modified: test-suite/pw_pawatom/benchmark.out.SVN.inp=paw-atom_spin.in
• modified: test-suite/pw_pawatom/benchmark.out.SVN.inp=paw-atom_spin_lda.in
• modified: test-suite/pw_pawatom/benchmark.out.SVN.inp=paw-atom_tqr.in
• modified: test-suite/pw_pawatom/benchmark.out.SVN.inp=paw-bfgs.in
• modified: test-suite/pw_pawatom/benchmark.out.SVN.inp=paw-vcbfgs.in
• modified: test-suite/pw_pbe/benchmark.out.SVN.inp=pbe0-si111.in
• modified: test-suite/pw_pbe/benchmark.out.SVN.inp=pbe0-si222.in
• modified: test-suite/pw_pbe/benchmark.out.SVN.inp=pbe0-si444.in
• modified: test-suite/pw_pbe/benchmark.out.SVN.inp=pbeq2d.in
• modified: test-suite/pw_plugins/benchmark.out.SVN.inp=plugin-pw2casino_1.in
• modified: test-suite/pw_plugins/benchmark.out.SVN.inp=plugin-pw2casino_2.in
• modified: test-suite/pw_relax/benchmark.out.SVN.inp=relax-damped.in
• modified: test-suite/pw_relax/benchmark.out.SVN.inp=relax-el.in
• modified: test-suite/pw_relax/benchmark.out.SVN.inp=relax-extfor.in
• modified: test-suite/pw_relax/benchmark.out.SVN.inp=relax.in
• modified: test-suite/pw_relax/benchmark.out.SVN.inp=relax2-bfgs_ndim3.in
• modified: test-suite/pw_relax/benchmark.out.SVN.inp=relax2.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-1.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-2.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-allfrac.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-cg.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-disk_io-1.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-disk_io-2.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-disk_io.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-gamma.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-k0.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-kauto.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-kcrys.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-mixing_TF.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-mixing_beta.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-mixing_localTF.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-mixing_ndim.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-ncpp.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-nofrac.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-occ.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf-wf_collect.in
• modified: test-suite/pw_scf/benchmark.out.SVN.inp=scf.in
• modified: test-suite/pw_spinorbit/benchmark.out.SVN.inp=spinorbit-1.in
• modified: test-suite/pw_spinorbit/benchmark.out.SVN.inp=spinorbit-3.in
• modified: test-suite/pw_spinorbit/benchmark.out.SVN.inp=spinorbit.in
• modified: test-suite/pw_uspp/benchmark.out.SVN.inp=uspp-2.in
• modified: test-suite/pw_uspp/benchmark.out.SVN.inp=uspp-cg.in
• modified: test-suite/pw_uspp/benchmark.out.SVN.inp=uspp-hyb-g.in
• modified: test-suite/pw_uspp/benchmark.out.SVN.inp=uspp-hyb-k.in
• modified: test-suite/pw_uspp/benchmark.out.SVN.inp=uspp-mixing_TF.in
• modified: test-suite/pw_uspp/benchmark.out.SVN.inp=uspp-mixing_localTF.in
• modified: test-suite/pw_uspp/benchmark.out.SVN.inp=uspp-mixing_ndim.in
• modified: test-suite/pw_uspp/benchmark.out.SVN.inp=uspp-singlegrid.in
• modified: test-suite/pw_uspp/benchmark.out.SVN.inp=uspp.in
• modified: test-suite/pw_uspp/benchmark.out.SVN.inp=uspp1-coulomb.in
• modified: test-suite/pw_uspp/benchmark.out.SVN.inp=uspp1.in
• modified: test-suite/pw_uspp/benchmark.out.SVN.inp=uspp2.in
• modified: test-suite/pw_vc-relax/benchmark.out.SVN.inp=vc-md1.in
• modified: test-suite/pw_vc-relax/benchmark.out.SVN.inp=vc-md2.in
• modified: test-suite/pw_vc-relax/benchmark.out.SVN.inp=vc-relax1.in
• modified: test-suite/pw_vc-relax/benchmark.out.SVN.inp=vc-relax2.in
• modified: test-suite/pw_vc-relax/benchmark.out.SVN.inp=vc-relax3.in
• modified: test-suite/pw_vc-relax/benchmark.out.SVN.inp=vc-relax4.in
• modified: test-suite/pw_vdw/benchmark.out.SVN.inp=vdw-d.in
• modified: test-suite/pw_vdw/benchmark.out.SVN.inp=vdw-ts.in
• modified: test-suite/pw_vdw/benchmark.out.SVN.inp=vdw1.in
• modified: test-suite/pw_vdw/benchmark.out.SVN.inp=vdw2.in
• modified: test-suite/pw_vdw/benchmark.out.SVN.inp=vdw3.in
• modified: test-suite/pw_vdw/benchmark.out.SVN.inp=vdw4.in
• modified: test-suite/pw_vdw/benchmark.out.SVN.inp=vdw5.in
• modified: test-suite/pw_vdw/benchmark.out.SVN.inp=vdw6.in
• modified: test-suite/pw_xdm/benchmark.out.SVN.inp=xdm.in