Squashed commit of the following:
commit f629f763b0
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jul 22 19:46:15 2022 +0200
update refs
commit f1a7aa7d38
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jul 22 16:57:01 2022 +0200
Use Apache2 license
commit 890e9440cb
Merge: 9e56de5dc d700ee23e
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jul 22 16:53:24 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
commit 9e56de5dc0
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jul 22 16:52:57 2022 +0200
Use new API for grids
commit 951d9e686a
Merge: c7d9f6d03 bbd8b9382
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jul 20 18:41:20 2022 +0200
Update refs
commit c7d9f6d036
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jul 20 17:35:01 2022 +0200
Output minimax errors
commit 73e2a13351
Merge: 88b20f362 abedf36c9
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jul 20 03:24:02 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
commit 88b20f362c
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jul 20 03:23:11 2022 +0200
Refactoring
commit 0a97299b81
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jul 19 00:24:21 2022 +0200
Saving work
commit e4c07e4646
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Jul 18 17:30:08 2022 +0200
Write symmetry tables to ab_out
commit f8ab38cb4f
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jul 16 17:18:29 2022 +0200
Cleanup in vcoul_init
commit 817565cf34
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jul 16 01:27:52 2022 +0200
Distribute bands inside tau_comm when computing G
commit bea400df76
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jul 15 17:28:59 2022 +0200
Cosmetic changes in m_sigx
commit 3e02a87b82
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jul 15 03:00:17 2022 +0200
refactoring
commit 78c1f0eed0
Merge: 83e5a73c4 66713f074
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jul 13 15:35:45 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
commit 83e5a73c4e
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jul 13 15:35:25 2022 +0200
Minor refactoring
commit e4d8079306
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jul 12 17:50:21 2022 +0200
abirules
commit 772dddf6af
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Jul 11 15:10:50 2022 +0200
Print mesh, update refs
commit 34bdc66c18
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Jul 11 01:10:05 2022 +0200
Call GMATTEOX library becase this what I need
commit a8e485818f
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Jul 10 16:56:33 2022 +0200
Timing
commit ef9f33ddb0
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Jul 10 03:38:56 2022 +0200
Fix typo
commit d6aa1c7519
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Jul 10 03:37:08 2022 +0200
Write file only if dtset%prtsuscep > 0
commit 9cf778801c
Author: Matteo Giantomassi <matteo.giantomassi@uclouvain.be>
Date: Sat Jul 9 20:29:58 2022 +0200
Fix wrong files_to_test
commit e70e804a1e
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jul 9 18:02:32 2022 +0200
Fix bug due to pointer in krank_ibz
commit 46b253e0a4
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jul 9 16:53:43 2022 +0200
Add paral t78.abi
commit b37693c8f5
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jul 9 16:43:20 2022 +0200
Add GWR paral test
commit f70adc02ef
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jul 9 15:29:25 2022 +0200
Add mp2_grids to EXTERNAL_MODS
commit a5494bb37d
Merge: fb583e2a2 692a4ee0c
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jul 9 15:22:17 2022 +0200
Only master rank checks whether file exists
commit fb583e2a28
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jul 8 17:54:30 2022 +0200
Preparing call to get_minimax_grid
commit 9644db476d
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jul 8 16:41:49 2022 +0200
GWR method to write tchi,wc
commit a8393351c1
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Jul 7 16:08:41 2022 +0200
Hscr methods
commit b581881e19
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jul 6 17:07:00 2022 +0200
Minor changes
commit a71dee35b2
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jul 6 01:30:35 2022 +0200
init_scalapack and end_scalapack replaced by init and free
commit dd0efb375b
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jul 6 00:07:50 2022 +0200
slk_pzheevx and friends replaced by methods
commit bb31dd8ad8
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Jul 4 23:39:56 2022 +0200
abirules
commit dfd735f760
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Jul 4 18:46:50 2022 +0200
Add dryrun_merge to tasks.py
commit ceea053ca1
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Jul 4 16:51:01 2022 +0200
Cosmetic changes
commit 3482d5da4d
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Jul 4 03:57:10 2022 +0200
Sigma with FFTs
commit 3a13118574
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Jul 3 03:13:07 2022 +0200
Add gwr_boxcutmin
commit 28eee79468
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jul 2 23:08:15 2022 +0200
Integrate logic used in sigmaph to include degenerate states
commit f5b22a5a2e
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jul 2 16:20:11 2022 +0200
Compute vtrial
commit 5fba519c5b
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jul 2 00:17:29 2022 +0200
Refactoring
commit cada257247
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Jun 30 14:09:27 2022 +0200
Cosmetic changes
commit 88cff6820a
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Jun 30 01:35:24 2022 +0200
Init kcalc from kptgw etc. as in sigmaph, generate MPI-grid automatically
commit f7d203cfd4
Merge: edb2ce43d 3f2b8d200
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Jun 30 00:16:06 2022 +0200
Merge branch 'ibte' of gitlab.abinit.org:gmatteo/abinit into gwr
commit 3f2b8d2004
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Jun 30 00:15:36 2022 +0200
Mv xmpi_distrib_2d to m_xmpi
commit edb2ce43d8
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jun 29 17:31:24 2022 +0200
Kmesh methods
commit e426e58ad7
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jun 29 14:57:17 2022 +0200
KS/QP_BST --> ks/qp_ebands
commit 5b70b5258c
Merge: 4e05ca9f5 394b17f05
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jun 29 13:39:52 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit 32ba30db6e
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jun 29 13:39:18 2022 +0200
Code cleanup
commit 55f5a774a1
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jun 29 13:02:17 2022 +0200
Use gpshere methods
commit 8ec893e65e
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jun 29 03:20:52 2022 +0200
refactoring
commit 1da720fce8
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 28 23:31:57 2022 +0200
And print statement
commit c7bf2b6809
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 28 23:31:21 2022 +0200
Remove debug sections
commit 88e840518b
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 28 23:12:40 2022 +0200
Fix bug in ptrans
commit a240a24320
Author: Matteo Giantomassi <matteo.giantomassi@uclouvain.be>
Date: Tue Jun 28 20:21:20 2022 +0200
Fix wrong dimension in automatic array
commit 6d9bbf279c
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 28 19:57:24 2022 +0200
Debugging
commit 2eb7c73071
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 28 18:41:20 2022 +0200
Debugging
commit bfabe30540
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 28 18:08:55 2022 +0200
Debuggin
commit 6c53c1c58b
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 28 17:53:26 2022 +0200
Use m_bessel in m_vcoul
commit b3d6732a54
Merge: 200ebf92d 4e05ca9f5
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 28 16:13:05 2022 +0200
Merge branch 'ibte' of gitlab.abinit.org:gmatteo/abinit into gwr
commit 200ebf92d5
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 28 16:12:52 2022 +0200
Fix compilation errors
commit 4e05ca9f5c
Merge: ec93de3a2 108972e86
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 28 14:51:44 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit ec93de3a23
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 28 14:49:44 2022 +0200
abirules
commit 3beacb17f7
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 28 14:11:18 2022 +0200
Additional scalapack tools
commit 2b3e96db8b
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Jun 27 02:56:09 2022 +0200
Saving work
commit c5d13924ff
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Jun 26 22:58:24 2022 +0200
Add gwr_np_gtks
commit 48b57c0247
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jun 25 15:25:21 2022 +0200
Fix wrong test
commit 3cbbc438f6
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jun 25 15:11:32 2022 +0200
Add gwr subsuite and very preliminary test
commit c3c1021cb9
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jun 25 12:31:08 2022 +0200
init_matrix_scalapack --> mat%init
commit ce6a78da3f
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jun 24 17:44:58 2022 +0200
init_matrix_scalapack: replace tbloc by optional size_blocs
commit 72078b3a03
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jun 24 17:10:26 2022 +0200
Code cleanup
commit 559e9b8394
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jun 24 16:56:10 2022 +0200
Refactoring
commit 85e59ad113
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jun 24 02:52:33 2022 +0200
refactoring
commit 3ce8d6997f
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jun 24 01:59:23 2022 +0200
Begin refactoring of m_slk: move CPP sections inside routines
commit 90370b1d89
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jun 24 00:59:37 2022 +0200
code cleanup
commit 47a0a62286
Merge: 817393fb2 c6513db2c
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Jun 23 15:44:24 2022 +0200
Merge branch 'ibte' of gitlab.abinit.org:gmatteo/abinit into gwr
commit 817393fb2c
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Jun 23 15:44:08 2022 +0200
Refactoring
commit fc37da3d79
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Jun 23 14:29:25 2022 +0200
Add slk tools
commit c6513db2c9
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Jun 23 00:37:33 2022 +0200
Uncomment debugging section
commit 0097bc8c9d
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jun 22 22:31:00 2022 +0200
Refactoring
commit ebc6e5e1f0
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jun 22 12:42:05 2022 +0200
Refactoring
commit dc3611af6c
Merge: a8d5e04db 8d9da6ec8
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 21 15:30:45 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit a8d5e04dbe
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 21 15:25:19 2022 +0200
Fix memory leak
commit c9902bf856
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jun 18 18:36:03 2022 +0300
Setup FFT mesh
commit 740de77032
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jun 18 12:26:09 2022 +0300
Finalize k/q tables
commit 466c19f1d6
Merge: 0102d5647 ac2c19576
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jun 18 11:29:38 2022 +0300
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
commit 0102d5647d
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jun 18 11:29:33 2022 +0300
Minor changes
commit 69bc5be8a2
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jun 15 13:48:15 2022 +0200
Saving work
commit edc9b4410a
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jun 15 00:34:57 2022 +0200
Code cleanup
commit e9befc7188
Merge: 2643453ec c18b4d3b9
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 14 14:27:04 2022 +0200
Merge branch 'ibte' of gitlab.abinit.org:gmatteo/abinit into gwr
commit 2643453ecb
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 14 14:26:43 2022 +0200
Minor changes
commit ea201f3e7e
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 14 01:16:31 2022 +0200
Add RUNL_GWR
commit c18b4d3b9d
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Jun 14 00:05:57 2022 +0200
Fix compilation error
commit 193dbf2d26
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Jun 13 23:44:38 2022 +0200
Write pheigvec_cart_ibz to GSTORE instead of phdispl_cart_ibz
commit aff030bf33
Merge: b20d545bf 0ec0b7274
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Jun 13 23:06:13 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
commit 293259f6e0
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Jun 12 22:11:34 2022 +0200
Enforce gauge in ph eigenvectors by recostruiting q_bz from q_ibz
commit 1ef3a273df
Merge: 4384b94e0 0ec0b7274
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jun 11 12:07:14 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit 4384b94e08
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Jun 11 12:07:10 2022 +0200
Minor fixes
commit 157e850d25
Merge: 1367472cd 3243426d5
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Jun 6 14:02:11 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit 1367472cdf
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Jun 6 01:11:54 2022 +0200
docs
commit bbedacedb2
Merge: 92c0dab82 b0fac2371
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Jun 5 23:12:33 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit 92c0dab829
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Jun 5 22:16:18 2022 +0200
Improve docs
commit 3f980b3b8e
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Jun 5 17:26:38 2022 +0200
Allow for some load imbalance
commit c75314829d
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Jun 5 17:15:36 2022 +0200
Changhe the order
commit 5e4d1e709b
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Jun 5 17:10:22 2022 +0200
Smarter MPI distribution
commit 10e461298e
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Jun 5 16:14:12 2022 +0200
Fix compilation error if MPI is not available
commit 13e76f14be
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Jun 5 15:36:44 2022 +0200
Store vk in the IBZ
commit d0c8a00bdc
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Jun 5 00:15:57 2022 +0200
Computation and output of v_k in the IBZ
commit d4a0f0c974
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jun 3 23:35:48 2022 +0200
Store glob_nq_spin in gstore, add gstore%print
commit a8f71f504e
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jun 3 22:00:17 2022 +0200
Use nf90_def_var_fill for gvals and gstore_done_qbz_spin
commit 791e017eb5
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Jun 3 14:25:07 2022 +0200
Minor changes
commit 71ddfe2ad1
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Jun 2 17:16:13 2022 +0200
Bug fixes
commit 6d44f8572e
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Jun 2 13:05:21 2022 +0200
Order q-points by shells with q0 at the beginning of the star
commit 812164eaf6
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Jun 2 01:19:27 2022 +0200
Fix allocation error
commit 6eef7513d5
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Jun 2 01:04:33 2022 +0200
Sort qbz to take advantage of qcache
commit c310375535
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Jun 2 01:00:53 2022 +0200
Revamp qcache
commit b20d545bf9
Merge: 9b651130e 78938b8e1
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jun 1 15:04:14 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
commit cbd99b08ac
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jun 1 13:31:06 2022 +0200
Fix minor problems
commit 3acc9e1cf3
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jun 1 01:19:17 2022 +0200
Compute edos
commit e67f1c7a3b
Author: gmatteo <gmatteo@gmail.com>
Date: Tue May 31 23:57:09 2022 +0200
Double delta with tetra
commit b47e4421a7
Author: gmatteo <gmatteo@gmail.com>
Date: Tue May 31 14:42:54 2022 +0200
Replace krank%get_mapping with kpts_map wrapper
commit 82b97894ec
Author: gmatteo <gmatteo@gmail.com>
Date: Tue May 31 13:51:27 2022 +0200
a2f and helper functions
commit e58c4bee4d
Author: gmatteo <gmatteo@gmail.com>
Date: Tue May 31 01:14:57 2022 +0200
Use recompute_select_qbz_spin helper
commit dd738a1739
Author: gmatteo <gmatteo@gmail.com>
Date: Mon May 30 14:23:09 2022 +0200
Replace krank%get_mapping with kpts_map wrapper
commit 547a0ecb1c
Author: gmatteo <gmatteo@gmail.com>
Date: Mon May 30 09:55:40 2022 +0200
Fix syntax error
commit 84e2e745e0
Author: gmatteo <gmatteo@gmail.com>
Date: Mon May 30 03:08:43 2022 +0200
Import function
commit 4097b22a74
Author: gmatteo <gmatteo@gmail.com>
Date: Mon May 30 02:47:48 2022 +0200
Replace calls with new kpts_map API
commit fe6ff37b43
Author: gmatteo <gmatteo@gmail.com>
Date: Mon May 30 00:16:02 2022 +0200
Add kpts_map wrapper to faciliate refactoring
commit e83cba6afa
Author: gmatteo <gmatteo@gmail.com>
Date: Sun May 29 16:00:28 2022 +0200
Minor refactoring in gqk API
commit 96345f2e02
Author: gmatteo <gmatteo@gmail.com>
Date: Sun May 29 02:00:02 2022 +0200
Add preliminary tests for GSTORE
commit 0566a66ef2
Author: gmatteo <gmatteo@gmail.com>
Date: Sat May 28 13:23:42 2022 +0200
Implement gstore_erange
commit f5b9ec6c50
Author: gmatteo <gmatteo@gmail.com>
Date: Sat May 28 00:54:01 2022 +0200
Add 1 to fnlen dimension to interoperate with python
commit 17fdc46c10
Author: gmatteo <gmatteo@gmail.com>
Date: Fri May 27 00:39:22 2022 +0200
eph_task 14 --> eph_task 11
commit 4029be1f3a
Author: gmatteo <gmatteo@gmail.com>
Date: Fri May 27 00:22:23 2022 +0200
Write delta_ef_kibz_spin to GSTORE
commit 69ade141d6
Author: gmatteo <gmatteo@gmail.com>
Date: Thu May 26 22:58:17 2022 +0200
Add ph freqs and diplacements to GSTORE.nc
commit d8b5e19ab7
Merge: 7279287f9 78938b8e1
Author: gmatteo <gmatteo@gmail.com>
Date: Thu May 26 18:35:37 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit 7279287f97
Author: gmatteo <gmatteo@gmail.com>
Date: Thu May 26 18:35:33 2022 +0200
Before merge with trunk/develop
commit e52b76cff5
Author: gmatteo <gmatteo@gmail.com>
Date: Thu May 26 14:08:46 2022 +0200
Add additional metadata to GSTORE
commit 15a809f83c
Author: gmatteo <gmatteo@gmail.com>
Date: Tue May 24 14:13:23 2022 +0200
Implement output of gs inside the loops in gstore_build
commit a51311feb5
Author: gmatteo <gmatteo@gmail.com>
Date: Tue May 24 02:15:11 2022 +0200
Additional tables needed for restarting
commit 36ea75a7d1
Author: gmatteo <gmatteo@gmail.com>
Date: Tue May 24 02:12:34 2022 +0200
Additional tables needed for restarting
commit 8b4e5196f1
Author: gmatteo <gmatteo@gmail.com>
Date: Mon May 23 20:22:35 2022 +0200
Remove gqk_ncwrite_path
commit 498134ce73
Author: gmatteo <gmatteo@gmail.com>
Date: Mon May 23 16:31:30 2022 +0200
Add gstore_filter_fs_tetra__
commit 2130bcf99b
Author: gmatteo <gmatteo@gmail.com>
Date: Mon May 23 14:39:37 2022 +0200
Write extra tables needed to rebuild gstore if filtering is used
commit e989aa9171
Author: gmatteo <gmatteo@gmail.com>
Date: Mon May 23 03:14:05 2022 +0200
Saving work
commit 29667568db
Author: gmatteo <gmatteo@gmail.com>
Date: Mon May 23 02:32:18 2022 +0200
Saving work
commit 1dc8496324
Author: gmatteo <gmatteo@gmail.com>
Date: Mon May 23 00:55:02 2022 +0200
New variable getstore_filepath
commit 16cf2a69c9
Author: gmatteo <gmatteo@gmail.com>
Date: Sun May 22 16:55:28 2022 +0200
Document gstore variables, working on gstore_read
commit 305c0fff19
Author: gmatteo <gmatteo@gmail.com>
Date: Sun May 22 00:47:41 2022 +0200
Implement additional filter on k+q if fs_tetra
commit f7496eacc8
Author: gmatteo <gmatteo@gmail.com>
Date: Sat May 21 17:52:13 2022 +0200
Fix wrong comm when distributing q-points
commit c74dac5729
Author: gmatteo <gmatteo@gmail.com>
Date: Sat May 21 17:40:18 2022 +0200
benchmarking
commit 4f36e53ab9
Author: gmatteo <gmatteo@gmail.com>
Date: Sat May 21 15:18:44 2022 +0200
Refactoring
commit 2d19cfe0cd
Author: gmatteo <gmatteo@gmail.com>
Date: Sat May 21 03:42:00 2022 +0200
refactoring
commit 05916473cd
Author: gmatteo <gmatteo@gmail.com>
Date: Sat May 21 02:21:08 2022 +0200
Add gstore input variables
commit d9b171deea
Author: gmatteo <gmatteo@gmail.com>
Date: Fri May 20 23:04:36 2022 +0200
Minor changes
commit 7f5c77ad93
Author: gmatteo <gmatteo@gmail.com>
Date: Fri May 20 18:22:17 2022 +0200
xmpi_comm_size now returns 0 if comm == MPI_COMM_NULL
commit bb62ff3c4c
Author: gmatteo <gmatteo@gmail.com>
Date: Fri May 20 17:35:55 2022 +0200
Replace calls to mkffn with mkffnl_objs
commit c04591efa2
Author: gmatteo <gmatteo@gmail.com>
Date: Fri May 20 14:02:29 2022 +0200
More docs and code cleanup
commit 55bbc7c60d
Author: gmatteo <gmatteo@gmail.com>
Date: Sat May 14 17:36:42 2022 +0200
Import ddkop_get_vnondiag from Nick's branch
commit 402d3d94a7
Author: gmatteo <gmatteo@gmail.com>
Date: Thu May 12 13:57:33 2022 +0200
Add docstrings
commit 7b06314f48
Author: gmatteo <gmatteo@gmail.com>
Date: Thu May 12 01:33:49 2022 +0200
Revert changes done in 8c6a061343 to parallelize wfd_distribute_kb_kpbp loops
commit ab5f2629d5
Author: gmatteo <gmatteo@gmail.com>
Date: Thu May 12 01:16:54 2022 +0200
prototype 75% done
commit aa6cb53bb4
Author: gmatteo <gmatteo@gmail.com>
Date: Wed May 11 00:36:48 2022 +0200
Code cleanup
commit 42028e4428
Author: gmatteo <gmatteo@gmail.com>
Date: Tue May 10 11:21:34 2022 +0200
Activate computation of e-ph matrix elements
commit 619d8eb5f5
Author: gmatteo <gmatteo@gmail.com>
Date: Mon May 9 13:21:33 2022 +0200
Saving work
commit eb5db16fd3
Author: gmatteo <gmatteo@gmail.com>
Date: Mon May 9 12:17:31 2022 +0200
Add wrapper for mkffnl
commit 7c88f00733
Author: gmatteo <gmatteo@gmail.com>
Date: Mon May 9 12:10:09 2022 +0200
More k-point stuff
commit c82963ec0e
Merge: 47cd64cfb a1d7896fe
Author: gmatteo <gmatteo@gmail.com>
Date: Sun May 8 17:31:01 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit 47cd64cfbd
Author: gmatteo <gmatteo@gmail.com>
Date: Sun May 8 17:24:43 2022 +0200
Sketching IO section
commit 310bbd4f8b
Author: gmatteo <gmatteo@gmail.com>
Date: Sun May 8 02:31:29 2022 +0200
Don't write acknowlgments to std_out as they're completely useless here, use ab_out only
commit 74f3b0da1b
Author: gmatteo <gmatteo@gmail.com>
Date: Sun May 8 02:28:29 2022 +0200
Saving work
commit f6d476dfb6
Author: gmatteo <gmatteo@gmail.com>
Date: Sat May 7 17:11:43 2022 +0200
refactoring
commit e5cd23d609
Author: gmatteo <gmatteo@gmail.com>
Date: Sat May 7 00:33:22 2022 +0200
Saving work
commit 940e77538a
Merge: e71dcdc93 18e8f27ab
Author: gmatteo <gmatteo@gmail.com>
Date: Wed May 4 23:35:13 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit e71dcdc93c
Author: gmatteo <gmatteo@gmail.com>
Date: Wed May 4 23:35:09 2022 +0200
Saving work
commit 02a29e0ac9
Merge: a8feaf0c7 564f9049d
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Apr 26 16:40:16 2022 +0200
update refs, use Fortran-IO to read eigenvalues
commit a8feaf0c70
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Apr 26 14:04:17 2022 +0200
Cleanup in m_phgamma
commit 9b651130ea
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Apr 24 23:51:34 2022 +0200
Minor changes
commit 654721d1aa
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Apr 10 23:40:21 2022 +0200
Fix wrong format
commit d73490e1f1
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Apr 10 22:55:14 2022 +0200
This should fix omegalog
commit ce30b43034
Merge: 2ba8297e0 ad21dc752
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Apr 9 17:10:57 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit 2ba8297e06
Author: gmatteo <gmatteo@gmail.com>
Date: Sat Apr 9 17:10:07 2022 +0200
Minor fixes, in particular check that bdgw is speficied in nkptgw in EPH
commit 8c6a061343
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Mar 31 02:54:48 2022 +0200
Parallelize distribute_kb_kpbp
commit 2c012700bd
Merge: 5121c208a b92b27644
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Mar 30 14:34:06 2022 +0200
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit 5121c208a8
Merge: 656141182 711ff88c4
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Feb 25 16:31:27 2022 +0100
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit 656141182f
Merge: 6f5477fc4 ba8f3952a
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Feb 6 18:14:45 2022 +0100
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit 6f5477fc40
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jan 5 15:07:45 2022 +0100
Remove debugging sections
commit 1d11d5e836
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jan 5 14:26:08 2022 +0100
Remove stop after ABI_ERROR
commit 2d659d8a51
Merge: a2c8f1404 36194d477
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Jan 5 14:01:40 2022 +0100
Merge remote-tracking branch 'trunk/develop' into ibte
commit a2c8f1404b
Merge: c9b726aa8 499074d73
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Dec 27 18:16:11 2021 +0100
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit c9b726aa87
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Dec 27 18:16:01 2021 +0100
Remove check on mwarning when warning users about too small nbanb with metallic occupation
commit 6189090c41
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Nov 24 14:34:20 2021 +0100
Debugging stuff
commit a4024a3b5e
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Nov 15 20:32:39 2021 +0100
A magic if statement to prevent intel18 from miscompiling the SERTA code
commit 9834ba2b05
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Nov 12 13:05:55 2021 +0100
Fix bug in krank_get_mapping if non-primitive cells are used (integer overflow due to nsym)
commit bb7f90f5e8
Author: gmatteo <gmatteo@gmail.com>
Date: Fri Nov 12 00:50:39 2021 +0100
Improve docs
commit 2646eb3aa1
Merge: 40ae10887 4e8e58080
Author: gmatteo <gmatteo@gmail.com>
Date: Thu Nov 11 02:11:59 2021 +0100
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
commit d7dd699cab
Merge: c893ef4f2 4e8e58080
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Nov 10 10:57:57 2021 +0100
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into ibte
commit c893ef4f21
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Nov 10 10:54:53 2021 +0100
Add test for eph_prtscratew
commit cd78186ebe
Author: gmatteo <gmatteo@gmail.com>
Date: Wed Nov 10 01:54:30 2021 +0100
Add new variable eph_prtscratew to write spectral decomposition of SERTA/MRTA scattering rates
commit c7c1931fe5
Author: gmatteo <gmatteo@gmail.com>
Date: Tue Nov 9 22:19:13 2021 +0100
Add variable eph_phrange_w, now the abinit parser accepts meV as Energy units
commit 40ae10887f
Author: gmatteo <gmatteo@gmail.com>
Date: Mon Nov 8 12:34:48 2021 +0100
refactoring
commit 74b94d2e45
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Nov 7 20:38:48 2021 +0100
refactoring
commit 07d0abb54d
Merge: 9e2d88534 f45a97d29
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Nov 7 01:01:17 2021 +0100
Merge branch 'develop' of gitlab.abinit.org:trunk/abinit into gwr
commit 9e2d88534f
Author: gmatteo <gmatteo@gmail.com>
Date: Sun Nov 7 01:01:09 2021 +0100
Saving work
0a9e9c574d