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Makefile
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phonon with vdW-DF/vdw-DF2/rVV10 added.
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2016-04-11 15:40:37 +00:00 |
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adddvepsi_us.f90
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Copying the routine adddvepsi_us.f90 from PHonon/PH to LR_Modules
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2016-02-28 13:10:52 +00:00 |
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adddvscf.f90
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becp1 variable moved form phus -> lrus
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2016-01-22 01:50:14 +00:00 |
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addusdbec.f90
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Porting minor updates of my previous commits to addusdbec.f90 and addusdbec_nc.f90 which are inside LR_Modules,
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2016-02-14 13:13:49 +00:00 |
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addusdbec_nc.f90
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Porting minor updates of my previous commits to addusdbec.f90 and addusdbec_nc.f90 which are inside LR_Modules,
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2016-02-14 13:13:49 +00:00 |
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apply_dpot.f90
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imoving (copying) another small routine
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2016-01-19 14:35:11 +00:00 |
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cft_wave.f90
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Copy to new library
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2016-01-18 16:09:00 +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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try moving anothe one
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2016-01-20 09:08:28 +00:00 |
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ch_psi_all.f90
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ch_psi_all.f90 moved to LR_Modules,
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2016-01-20 08:13:57 +00:00 |
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commutator_Hx_psi.f90
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let's try to move the commutator..
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2016-01-20 10:02:29 +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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cleanup of commented debubbing printouts
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2016-04-11 16:19:09 +00:00 |
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dv_rVV10.f90
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More small fixes for NAG compiler, by Samuel Ponce'
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2016-04-14 17:39:49 +00:00 |
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dv_vdW_DF.f90
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More small fixes for NAG compiler, by Samuel Ponce'
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2016-04-14 17:39:49 +00:00 |
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h_psiq.f90
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yet another "easy" routine
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2016-01-19 15:08:02 +00:00 |
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incdrhoscf.f90
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Copying the PH routine "incdrhoscf.f90" (which computes the response charge density) to the LR_Modules.
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2016-02-14 12:46:52 +00:00 |
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incdrhoscf_nc.f90
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Copying the PH routine "incdrhoscf_nc.f90" (which computes the response charge density in the noncollinear case) to the LR_Modules.
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2016-02-14 12:49:16 +00:00 |
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lr_sm1_psi.f90
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The TDDFPT module is no longer dependent on PHonon. All the dependencies were moved to LR_Modules.
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2016-02-28 15:47:13 +00:00 |
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lrcom.f90
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Moved the variables dpqq and dpqq_so from "phus" to "lrus".
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2016-02-28 13:04:42 +00:00 |
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make.depend
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phonon with vdW-DF/vdw-DF2/rVV10 added.
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2016-04-11 15:40:37 +00:00 |
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newdq.f90
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12043 c92efa57-630b-4861-b058-cf58834340f0
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2016-01-21 00:57:35 +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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Added a missing part in the routine setup_alpha_pv.f90, which was taken from PH. This was a bug for metals (because one variable was not set up, i.e. emax), which I introduced by mistake a few weeks ago while moving some parts of the PH code to LR_Modules. Sorry about this!
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2016-04-11 09:12:52 +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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Moved parts of the PHonon code, which compute nbnd_occ and alpha_pv,
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2016-02-28 10:58:15 +00:00 |
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setup_nscf.f90
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file name made consistent with routine name
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2016-01-20 22:31:05 +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 |
a528fc89f3