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Makefile
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Unused routine h_psiq removed
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2016-10-09 20:36:06 +00:00 |
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adddvepsi_us.f90
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Upgrade of the TDDFPT codes using the new logic of the global indices igk_k(1:3,ik) and ngk(ik).
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2016-06-12 17:26:36 +00:00 |
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adddvscf.f90
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Upgrade of the TDDFPT codes using the new logic of the global indices igk_k(1:3,ik) and ngk(ik).
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2016-06-12 17:26:36 +00:00 |
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addusdbec.f90
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Upgrade of the TDDFPT codes using the new logic of the global indices igk_k(1:3,ik) and ngk(ik).
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2016-06-12 17:26:36 +00:00 |
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addusdbec_nc.f90
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Upgrade of the TDDFPT codes using the new logic of the global indices igk_k(1:3,ik) and ngk(ik).
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2016-06-12 17:26:36 +00:00 |
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apply_dpot.f90
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- logical flag have_task_groups removed from FFT type.
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2016-07-29 16:37:19 +00:00 |
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cft_wave.f90
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- Task groups variables moved form FFT type to a new data type
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2016-07-29 14:25:22 +00:00 |
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cg_psi.f90
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cg_psi copied to LR_Modules.
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2016-01-20 08:17:10 +00:00 |
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cgsolve_all.f90
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Routine computing preconditioning matrix made more general and self-contained.
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2016-06-21 08:23:33 +00:00 |
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ch_psi_all.f90
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- logical flag have_task_groups removed from FFT type.
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2016-07-29 16:37:19 +00:00 |
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commutator_Hx_psi.f90
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More removal of I/O of indices
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2016-06-04 20:18:02 +00:00 |
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compute_vsgga.f90
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Copying the routine compute_vsgga.f90 from PHonon/PH to LR_Modules
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2016-02-27 15:30:21 +00:00 |
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dgradcorr.f90
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Copying the routine dgradcorr.f90 from PHonon/PH to LR_Modules.
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2016-02-20 18:44:17 +00:00 |
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dnonloccorr.f90
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cleanup of commented debubbing printouts
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2016-04-11 16:19:09 +00:00 |
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dv_of_drho.f90
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Put the routine dv_of_drho in the module (called dv_of_drho_lr), because it contains an optional array drhoc (response core charge density). Without putting dv_of_drho in the module, the code was stopping (if it was compiled with the XLF compiler (on BG/Q)) when making a check "if (add_nlcc .and. .not.present(drhoc))" in the routine dv_of_drho. Thanks to Lorenzo Paulatto and Paolo Giannozzi for the discussions about how to solve this bug!
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2016-05-17 13:58:51 +00:00 |
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dv_rVV10.f90
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Horror, statements longer than 132 characters. Fixed!
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2016-09-11 15:00:41 +00:00 |
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dv_vdW_DF.f90
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Horror, statements longer than 132 characters. Fixed!
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2016-09-11 15:00:41 +00:00 |
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dynmat_sub.f90
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Splitting of the program dynmat.f90.
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2016-05-04 15:31:48 +00:00 |
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h_prec.f90
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Routine computing preconditioning matrix made more general and self-contained.
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2016-06-21 08:23:33 +00:00 |
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incdrhoscf.f90
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- logical flag have_task_groups removed from FFT type.
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2016-07-29 16:37:19 +00:00 |
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incdrhoscf_nc.f90
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- logical flag have_task_groups removed from FFT type.
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2016-07-29 16:37:19 +00:00 |
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lr_sm1_psi.f90
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fdef preprocessor macro refactoring (LR_Modules)
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2016-09-17 14:36:58 +00:00 |
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lrcom.f90
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Global variable "eprec" no longer useful, deleted
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2016-06-21 10:50:51 +00:00 |
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make.depend
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Unused routine h_psiq removed
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2016-10-09 20:36:06 +00:00 |
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newdq.f90
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fdef preprocessor macro refactoring (LR_Modules)
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2016-09-17 14:36:58 +00:00 |
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orthogonalize.f90
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Several changes:
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2016-03-19 19:04:05 +00:00 |
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qdipol_cryst.f90
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Copying the routine qdipol_cryst.f90 from PHonon/PH to LR_Modules
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2016-02-28 13:09:03 +00:00 |
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set_dbecsum_nc.f90
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set_dbecsum_nc and set_int3_nc extracted from PHonon/PH/set_int12_nc.f90 and moved to LR_Modules as separated files
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2016-01-22 03:00:30 +00:00 |
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set_int3_nc.f90
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set_dbecsum_nc and set_int3_nc extracted from PHonon/PH/set_int12_nc.f90 and moved to LR_Modules as separated files
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2016-01-22 03:00:30 +00:00 |
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setqmod.f90
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Copying the routine setqmod.f90 from PHonon/PH to LR_Modules
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2016-02-28 14:04:50 +00:00 |
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setup_alpha_pv.f90
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fdef preprocessor macro refactoring (LR_Modules)
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2016-09-17 14:36:58 +00:00 |
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setup_dgc.f90
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Copying the routine setup_dgc.f90 from PHonon/PH to LR_Modules
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2016-02-27 15:29:02 +00:00 |
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setup_dmuxc.f90
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Moved a part of the PHonon code (which computes the derivative of the XC potential)
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2016-02-27 16:33:33 +00:00 |
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setup_nbnd_occ.f90
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Missing intialization to 0 of nbnd_occ after recent changes
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2016-06-04 16:46:12 +00:00 |
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setup_nscf.f90
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fdef preprocessor macro refactoring (LR_Modules)
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2016-09-17 14:36:58 +00:00 |
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smallgq.f90
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moving small group of q routine to LR_Modules
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2016-01-20 16:05:38 +00:00 |
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