Tech ydiago #127
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Tech ydiago #127
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MODIFIED * configure include/version/version.m4 Changes: - [yambo]: configure re-generated after merge Patch sent by: Davide Sangalli <[email protected]>
…rali Version 5.2.0, Revision 23111, Hash 7456c06 MODIFIED * .gitignore config/configure.ac config/m4/acx_report.m4 config/mk/global/actions/compile_external_libraries.mk config/mk/global/actions/download_external_libraries.mk config/mk/global/defs.mk.in config/report.in config/setup.in configure include/version/version.m4 lib/archive/Makefile.loc lib/archive/git.list.in lib/archive/package.list sbin/compilation/libraries.sh NEW * config/m4/yambo_diago.m4 lib/ydiago/Makefile.loc lib/ydiago/make_ydiago.inc.in Bugs: - Additions: - Changes: - Patch sent by: Davide Sangalli <[email protected]>
Coded first version for linking automatically ydiago library from Mu…
MODIFIED * config/m4/yambo_diago.m4 config/setup.in configure include/version/version.m4 lib/ydiago/Makefile.loc sbin/compilation/libraries.sh Bugs: - Fixed linking of ydiago library Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_diago_driver.F bse/K_diagonalize.F bse/K_observables.F interface/INIT_activate.F interface/INIT_barriers.F interface/INIT_read_command_line.F Changes: - [yambo] Restored prevoius spacing in K_diago_driver - [yambo] Old diago solver can be used setting in input "o" solver Patch sent by: Davide Sangalli <[email protected]>
Tech ydiago
MODIFIED * configure include/version/version.m4 bse/.objects bse/K_diago_driver.F io/io_BSS_diago.F modules/mod_BS_solvers.F modules/mod_interfaces.F modules/mod_parallel.F RENAMED * bse/K_diagonalize.F -> bse/YDIAGO_driver.F Changes: - adapting ydiago coding to yambo structure Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/.objects bse/K_diago_driver.F bse/K_diago_left_residuals.F bse/K_diago_right_residuals.F modules/mod_interfaces.F NEW * bse/K_diago_left_residuals_distr.F bse/K_diago_right_residuals_distr.F Changes: - New K_diago_residuals adapted to Murali's distributed version Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * config/m4/netcdf_f90.m4 configure include/version/version.m4 Changes: - [yambo] Tentative fix for issue detected in #168 with netcdf detection Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_diago_driver.F bse/K_diago_left_residuals_distr.F bse/K_diago_right_residuals_distr.F bse/K_inversion_driver.F bse/K_stored_in_a_big_matrix.F io/io_BSS_diago.F modules/mod_BS_solvers.F modules/mod_interfaces.F Changes: - Removing part of the duplications in the ydiago branch. Working on two common subroutines for residuals between ydiago and old-diago / slepc solvers Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 DELETED * bse/K_diago_left_residuals_distr.F bse/K_diago_right_residuals_distr.F Changes: - removed tmp subroutines Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * AUTHORS configure include/version/version.m4 bse/.objects bse/K_diago_driver.F bse/K_diago_left_residuals.F bse/K_diago_right_residuals.F bse/YDIAGO_driver.F io/io_BSS_diago.F modules/mod_BS_solvers.F modules/mod_interfaces.F Changes: - Removing more duplications Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 ypp/excitons/excitons_read.F Changes: - ypp adapted to last changes in io_BSS_diago Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 ypp/excitons/excitons_read.F Bugs: - Fixed long line Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 coulomb/cutoff_slab.F Bugs: -Call to undefined variable and removed unused variables Patch sent by: Claudio Attaccalite <[email protected]>
MODIFIED * configure include/version/version.m4 dipoles/DIPOLE_setup.F Bugs: - [yambo_rt] Fixed issue #179 Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 dipoles/DIPOLE_setup.F Bugs: - Fixed specific obs initialization Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_driver.F bse/K_observables.F Changes: - Barrier created for dichroism in extended systems Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_diago_driver.F bse/K_diago_left_residuals.F bse/K_diago_right_residuals.F bse/YDIAGO_driver.F interface/INIT_activate.F interface/INIT_load.F linear_algebra/MATRIX_slepc.F modules/SET_defaults.F modules/mod_BS_solvers.F Changes: - more cleaning of the code Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_diago_driver.F bse/K_inversion_driver.F bse/K_stored_in_a_big_matrix.F modules/mod_interfaces.F Changes: - BS_mat / BS_V_right douplication limited to few lines where LINEAR_ALGEBRA_driver is called To be removed in the future Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/.objects bse/K_diago_driver.F bse/K_diago_perturbative.F bse/K_diago_right_residuals.F modules/mod_interfaces.F
DELETED * bse/K_residuals.F
Changes:
- [yambo] Removed duplication in K_diago_perturbative
Also removed many lines of code not needed anymore
Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_diago_driver.F Bugs: - Fixed if defined flags Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/headers/common/y_memory.h include/version/version.m4 Bugs: - fix for issue #180 Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_diago_driver.F bse/K_diago_response_functions.F io/io_BSS_diago.F modules/mod_BS_solvers.F Changes: - Fixed issue with definition of residuals resize due to inverted order Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 dipoles/DIPOLE_x_real_space.F hamiltonian/Pseudo_KB_FFT.F wf_and_fft/load_cc.F ypp/bits/WF_map_perturbative_SOC.F Bugs: - Addressing issue #182 Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 interface/INIT_activate.F Bugs: - Flag UseNLCC activated in BSE runlevel. See issue #184 for discussion on nlcc in yambo Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_diago_driver.F bse/YDIAGO_driver.F interface/INIT_activate.F interface/INIT_load.F modules/SET_defaults.F modules/mod_BS_solvers.F Changes: - Few refinements, following suggestions from Murali Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_diago_driver.F bse/K_diago_left_residuals.F bse/YDIAGO_driver.F Bugs: - Fixed issue with dimensions in coupling case. Since vectors are allocated with size BSS_n_eig I need to first double the value from input, in case it is provided, and later divide it by a factor 2 in the YDIAGO driver Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 Changes: - configure re-generated after merge Patch sent by: Davide Sangalli <[email protected]>
Tech ydiago
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This is a follow up of PR #117
See there for details.