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Coul_cut_2D_ph.f90
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indexes nl now taken from fft type
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2017-12-24 15:24:26 +01:00 |
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Makefile
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Once again, a problem with modules in Makefiles. In order to simplify things,
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2018-01-08 22:28:48 +01:00 |
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adddvepsi_us.f90
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more changes at the smmothing of beta- and q-funcions
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2017-07-15 23:16:18 +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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mispelled variable desc$have_task_groups corrected to desc%has_task_group
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2018-01-03 01:38:48 +01:00 |
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cft_wave.f90
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indexes nl now taken from fft type
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2017-12-24 15:24:26 +01:00 |
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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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Second copy of "set_bgrp_index" replaced by generic routine "divide"
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2017-12-23 22:28:53 +01:00 |
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ch_psi_all.f90
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Second copy of "set_bgrp_index" replaced by generic routine "divide"
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2017-12-23 22:28:53 +01:00 |
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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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Routine "gradrho" moved to gradutils, with new name "fft_gradient_g2r",
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2018-01-16 22:13:52 +01:00 |
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dfpt_tetra_mod.f90
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Added fix for phonon restart with tetrahedra (Mitsuaki Kawamura),
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2017-12-08 08:51:22 +00:00 |
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dgradcorr.f90
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Two more routines computing gradients collected into gradutils, duplicated
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2018-01-18 15:08:46 +01:00 |
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dnonloccorr.f90
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Believe it or not, CMPLX(0.d0,0.d0) /= (0.d0,0.d0) : the latter is a double
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2017-02-17 13:11:41 +00:00 |
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dv_of_drho.f90
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Two more routines computing gradients collected into gradutils, duplicated
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2018-01-18 15:08:46 +01:00 |
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dv_rVV10.f90
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Two more routines computing gradients collected into gradutils, duplicated
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2018-01-18 15:08:46 +01:00 |
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dv_vdW_DF.f90
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Two more routines computing gradients collected into gradutils, duplicated
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2018-01-18 15:08:46 +01:00 |
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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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mispelled variable desc$have_task_groups corrected to desc%has_task_group
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2018-01-03 01:38:48 +01:00 |
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incdrhoscf_nc.f90
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mispelled variable desc$have_task_groups corrected to desc%has_task_group
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2018-01-03 01:38:48 +01:00 |
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lr_sm1_psi.f90
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more changes at the smmothing of beta- and q-funcions
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2017-07-15 23:16:18 +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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make.depend updated
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2018-01-19 21:05:07 +01:00 |
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newdq.f90
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new interface to fft calls
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2018-01-02 17:45:45 +01:00 |
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orthogonalize.f90
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Second copy of "set_bgrp_index" replaced by generic routine "divide"
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2017-12-23 22:28:53 +01:00 |
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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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Optimized tetrahedra for DFPT, contributed by Mitsuaki Kawamura
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2016-12-23 12:49:16 +00:00 |
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setup_dgc.f90
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Routine "gradrho" moved to gradutils, with new name "fft_gradient_g2r",
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2018-01-16 22:13:52 +01:00 |
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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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Bugfix in PHonon when a constrained magnetization is used for insulators
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2017-10-16 09:04:26 +00:00 |
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setup_nscf.f90
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Cleanup of unused variables
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2017-01-23 15:46:28 +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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