Developers:Removed Features

From OctopusWiki
Jump to: navigation, search

This page documents features considered obsolete and thus removed from the code. Please include the revision number(s) of your removal commit, and a brief description of the code's functionality. This way, it is easier to recover if the necessity arises.

  • Complex scaling: Removed in MR:329 and MR:344. The implementation was too complicated to maintain.
  • Internal blas: Removed in 34272ab. This was our own implementation of blas functions in Fortran 90, as blas is mandatory it is not necessary to have it.
  • Restart in plain format: Removed in 0917190. This is the old format of binary files using Fortran 90 binary output, replaced by the obf format.
  • oct-operator_prof: Removed in 034fa76. An utility to profile the different versions of operate, this is now done autmatically by octopus, so it is obsolete.
  • Python code: Removed in f7ff5b1. This is part of the GUI project that is not complete.
  • Forces by taking the derivative of the potential: 7d1d03f Replaced by much more precise forces from the derivative of the wavefunctions.
  • PRE_INCOMPLETE_INVERSE preconditioner: Removed in 9622a64. Never used, slow, and complicated.
  • ARPACK and JDQZ interfaces: Removed in ae669cc, external eigensolvers not really used.
  • TRLAN eigensolver ccc2914
  • td_transport CalculationMode 67a3ee2
  • Expokit: Removed in 74b849b, replaced by our own implementation for the exponential of a dense matrix.
  • FFTW2 interface: Removed in 6e20748, not widely used and outdated.
  • NetCDF restart: Removed in 5f81ee3, not widely used.
  • Visscher propagator: Removed in ff0643e.
  • Split/Suzuki exponential/propagators: Removed in 1257609.
  • CDFT Hamiltonian terms: Removed in 816625d.
  • Calculation of L^2: Removed in f7d0f0c, not used and missing gauge corrections.
  • CUDA FFT interface: Removed in 020dfdb.
  • Changes in operate:
    • Autodetection of the best operate: Removed in d013779, replaced by static selection.
    • Blue Gene version of operate: Removed in b235c56, replaced by the vec version.
    • Itanium version of operate: Removed in ad1b0ac, afterwards an improved version will be included if necessary.
    • C version of operate: Removed in 5285a02, replaced by the vec version.
  • Scissor operator: Removed in ad04ba4. It was not used.
  • libnbc (MPI non-blocking collective communication): Removed in fd20710, 845fd09 and e80ab25.
  • StatesSaveMemory f82af86.
  • StatesWindowSize 9c899ed.
  • UseTopology 03695e1.
  • CalculationMode = raman, never really implemented 00688ff.
  • OEP kernel in Sternheimer 652440f.
  • Removed the old states parallelization routines, replaced by scalapack versions:
  • Current DFT afd08e4.
  • Removed the gridhier_m module, no longer needed c40ca77.
  • Deleted nl_operator subroutines: communication subroutines a51ce7a and write and op_to_matrix 41022cb because they are not any longer used.
  • Deleted par_vec subroutines: scatter boundary and selective gather nor scatter functions are not any longer used 64b1ffe.
  • Deleted mesh_functions subroutines: copy, partial_integrate nor interpolate functions are not any longer used 069a4e2.
  • Genetic algorithm mesh partititioner c10cabf.
  • translate_point function from src/grid/mesh.F90 ba1f2b1.
  • Metis 4.0 replaced by Metis 5.1 bc41195.
  • Zoltan no longer required since Metis 5.1 is open source d84c0da.
  • PFFT mesh partition 411a3b4.
  • Phase-only optimal control 9075051.
  • states_gather 92024f5.
  • mixing in optimal control 188310a.
  • Car-Parrinello 83a0889.
  • CalculationMode = one_shot b3599b6.
  • Laguerre root solver dcbd529.
  • in oct-run_regression_test.pl: clean.sh 4ef38eb, build-stamp b3ff280, matches.sh bd90593.
  • mail report in oct-run_testsuite.sh.in 19da204
  • Poisson SETE c892f74
  • SLATEC external library, used only for SETE 1818ff6
  • periodic table 41c72d6
  • XCTailCorrection eddfcf4
  • Single precision dfb825d (configure option), 9c70286 6d8a4ed (checks for single precision mode), af78d76 (global declarations), ac31cb5 (test).
  • Open systems not maintained and not very useful af13860 745ebb3 b347634 34c2ddf c2232b6 73225a4 c06bc7f 03fdcf3.
  • Input file datasets d4bcdd5 945b885 72c203a (tests) 3f54bd4 6a907e9 8661b99 8164f6b d10a30b da476a1 2df9d17 8c74879
  • oct-liquid c97ea11
  • c_pointer module: ff0fa01
  • BoxOffset: b5300ac 21b0c55 ef500f8
  • bader external library: 3dba97d
  • Levy-Perdew estimation of LB94 energy: 40afcda
  • photoelectron spectrum phase-spectrum filter: 9047105
  • X(eigensolve_scalapack): 5febcef (other routines elsewhere do eigensolves with ScaLAPACK)
  • QR orthogonalization: slow and never used 2de8c18.
  • GCM calculation mode: d824ea5 Generator-Coordinates Method (K. Capelle, J. Chem. Phys. 119, 1285 (2003)), never used and not tested.
  • Self-consistent time propagation: 05974c5. Replaced by a self-consistent version of the ETRS propagator.
  • Multigrid eigensolver: 07dbadf never fully implemented.
  • PAPI support: 6d26862 for obsolete version of this library