[Q-e-commits] espresso/upftools README, 1.2, 1.3 casino2upf.f90, 1.11, 1.12 casino_pp.f90, 1.1, 1.2

sbinnie at qe-forge.org sbinnie at qe-forge.org
Sat Mar 26 19:36:19 CET 2011

Previous message: [Q-e-commits] espresso/tests atom-lsda.ref, 1.7, 1.8 atom-pbe.ref, 1.8, 1.9 atom-sigmapbe.ref, 1.8, 1.9 atom.ref, 1.7, 1.8 berry.ref, 1.7, 1.8 berry.ref2, 1.7, 1.8 cluster1.ref, 1.2, 1.3 cluster2.ref, 1.2, 1.3 cluster3.ref, 1.2, 1.3 cluster4.ref, 1.2, 1.3 dipole.ref, 1.2, 1.3 electric0.ref, 1.4, 1.5 electric1.ref, 1.4, 1.5 electric2.ref, 1.4, 1.5 eval_infix.ref, 1.4, 1.5 eval_infix.ref2, 1.3, 1.4 lattice-ibrav0-abc.ref, 1.7, 1.8 lattice-ibrav0-cell_parameters+a.ref, 1.7, 1.8 lattice-ibrav0-cell_parameters+celldm.ref, 1.7, 1.8 lattice-ibrav0-cell_parameters.ref, 1.7, 1.8 lattice-ibrav1-kauto.ref, 1.7, 1.8 lattice-ibrav1.ref, 1.7, 1.8 lattice-ibrav10-kauto.ref, 1.7, 1.8 lattice-ibrav10.ref, 1.7, 1.8 lattice-ibrav11-kauto.ref, 1.7, 1.8 lattice-ibrav11.ref, 1.7, 1.8 lattice-ibrav12-kauto.ref, 1.7, 1.8 lattice-ibrav12.ref, 1.7, 1.8 lattice-ibrav13-kauto.ref, 1.7, 1.8 lattice-ibrav13.ref, 1.7, 1.8 lattice-ibrav14-kauto.ref, 1.7, 1.8 lattice-ibrav14.ref, 1.7, 1.8 lattice-ibrav2-kauto.ref, 1.7, 1.8 lattice-ibrav2.ref, 1.7, 1.8 lattice-ibrav3-kauto.ref, 1.7, 1.8 lattice-ibrav3.ref, 1.7, 1.8 lattice-ibrav4-kauto.ref, 1.7, 1.8 lattice-ibrav4.ref, 1.7, 1.8 lattice-ibrav5-kauto.ref, 1.7, 1.8 lattice-ibrav5.ref, 1.7, 1.8 lattice-ibrav6-kauto.ref, 1.7, 1.8 lattice-ibrav6.ref, 1.7, 1.8 lattice-ibrav7-kauto.ref, 1.7, 1.8 lattice-ibrav7.ref, 1.7, 1.8 lattice-ibrav8-kauto.ref, 1.7, 1.8 lattice-ibrav8.ref, 1.7, 1.8 lattice-ibrav9-kauto.ref, 1.7, 1.8 lattice-ibrav9.ref, 1.7, 1.8 lda+U-noU.ref, 1.5, 1.6 lda+U-user_ns.ref, 1.5, 1.6 lda+U.ref, 1.5, 1.6 lda+U_force.ref, 1.3, 1.4 lda+U_gamma.ref, 1.3, 1.4 lsda-cg.ref, 1.7, 1.8 lsda-mixing_TF.ref, 1.7, 1.8 lsda-mixing_localTF.ref, 1.7, 1.8 lsda-mixing_ndim.ref, 1.7, 1.8 lsda-nelup+neldw.ref, 1.7, 1.8 lsda-tot_magnetization.ref, 1.7, 1.8 lsda.ref, 1.8, 1.9 lsda.ref2, 1.6, 1.7 md-pot_extrap1.ref, 1.5, 1.6 md-pot_extrap2.ref, 1.5, 1.6 md-wfc_extrap1.ref, 1.6, 1.7 md-wfc_extrap2.ref, 1.5, 1.6 md.ref, 1.9, 1.10 metaGGA.ref, 1.6, 1.7 metal-fermi_dirac.ref, 1.7, 1.8 metal-gaussian.ref, 1.7, 1.8 metal-tetrahedra.ref, 1.8, 1.9 metal-tetrahedra.ref2, 1.5, 1.6 metal.ref, 1.7, 1.8 metal.ref2, 1.5, 1.6 noncolin-cg.ref, 1.8, 1.9 noncolin-constrain_angle.ref, 1.7, 1.8 noncolin-constrain_atomic.ref, 1.8, 1.9 noncolin-constrain_total.ref, 1.8, 1.9 noncolin.ref, 1.9, 1.10 noncolin.ref2, 1.7, 1.8 paw-atom.ref, 1.10, 1.11 paw-atom_l=2.ref, 1.10, 1.11 paw-atom_lda.ref, 1.10, 1.11 paw-atom_spin.ref, 1.10, 1.11 paw-atom_spin_lda.ref, 1.4, 1.5 paw-atom_tqr.ref, 1.4, 1.5 paw-bfgs.ref, 1.10, 1.11 paw-vcbfgs.ref, 1.10, 1.11 relax-damped.ref, 1.7, 1.8 relax-el.ref, 1.3, 1.4 relax.ref, 1.7, 1.8 relax2-bfgs_ndim3.ref, 1.7, 1.8 relax2.ref, 1.7, 1.8 scf-cg.ref, 1.7, 1.8 scf-disk_io.ref, 1.7, 1.8 scf-gamma.ref, 1.7, 1.8 scf-k0.ref, 1.7, 1.8 scf-kauto.ref, 1.7, 1.8 scf-mixing_TF.ref, 1.7, 1.8 scf-mixing_beta.ref, 1.7, 1.8 scf-mixing_localTF.ref, 1.7, 1.8 scf-mixing_ndim.ref, 1.7, 1.8 scf-ncpp.ref, 1.6, 1.7 scf-wf_collect.ref, 1.7, 1.8 scf.ref, 1.7, 1.8 scf.ref2, 1.5, 1.6 spinorbit.ref, 1.8, 1.9 spinorbit.ref2, 1.5, 1.6 uspp-cg.ref, 1.7, 1.8 uspp-mixing_TF.ref, 1.7, 1.8 uspp-mixing_localTF.ref, 1.7, 1.8 uspp-mixing_ndim.ref, 1.7, 1.8 uspp-singlegrid.ref, 1.8, 1.9 uspp.ref, 1.8, 1.9 uspp.ref2, 1.6, 1.7 uspp1-coulomb.ref, 1.5, 1.6 uspp1.ref, 1.6, 1.7 uspp2.ref, 1.8, 1.9 vc-relax1.ref, 1.6, 1.7 vc-relax2.ref, 1.6, 1.7 vc-relax3.ref, 1.3, 1.4 vc-relax4.ref, 1.3, 1.4 vdw.ref, 1.3, 1.4
Next message: [Q-e-commits] espresso/upftools README,1.3,1.4
Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

Update of /cvsroot/q-e/espresso/upftools
In directory qeforge.qe-forge.org:/tmp/cvs-serv16248/upftools

Modified Files:
	README casino2upf.f90 casino_pp.f90 
Log Message:
Updated casino2upf.x
It now generates UPFv2 files, respects choice of lloc in the original CASINO pp files and more. Documented in the (updated) upftools/README.

More information about the Q-e-commits mailing list