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Makefile
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"error" moved from flib/ to Modules/, as suggested by Axel, into
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2008-01-03 09:02:32 +00:00 |
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apply_p.f90
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- changed all 'nmr_*' and 'magn_*' into 'gipaw_*' for all references to the
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2007-01-15 11:45:23 +00:00 |
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apply_vel.f90
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More "calbec" cleanup - PLEASE TEST
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2007-12-18 21:29:10 +00:00 |
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biot_savart.f90
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- Changed from 'c' to 'alpha' as the units
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2007-01-17 14:37:20 +00:00 |
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cg_psi.f90
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GIPAW should not depend on PH! I've just borrowed few routines.
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2007-03-19 09:38:11 +00:00 |
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cgsolve_all.f90
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GIPAW should not depend on PH! I've just borrowed few routines.
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2007-03-19 09:38:11 +00:00 |
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ch_psi_all.f90
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<beta|psi> cleanup. (D.C.)
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2007-12-06 10:57:44 +00:00 |
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compute_sigma.f90
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- Write the whole sigma tensor
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2007-09-17 10:02:45 +00:00 |
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compute_u_kq.f90
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- cleanup, poolreduce replaced by mp_sum(...,inter_pool_comm)
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2008-01-23 17:27:20 +00:00 |
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efg.f90
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More "calbec" cleanup - PLEASE TEST
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2007-12-18 21:29:10 +00:00 |
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g_tensor_crystal.f90
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- cleanup, poolreduce replaced by mp_sum(...,inter_pool_comm)
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2008-01-23 17:27:20 +00:00 |
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gipaw_main.f90
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Cleanup of wavefunction initialization. Since I wasted two hours hunting
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2007-11-22 14:23:04 +00:00 |
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gipaw_module.f90
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- cleanup, poolreduce replaced by mp_sum(...,inter_pool_comm)
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2008-01-23 17:27:20 +00:00 |
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greenfunction.f90
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<beta|psi> cleanup. (D.C.)
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2007-12-06 10:57:44 +00:00 |
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h_psiq.f90
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<beta|psi> cleanup. (D.C.)
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2007-12-06 10:57:44 +00:00 |
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init_gipaw_1.f90
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All pseudopotential data required for PAW is now dynamically allocated inside the upf structure. Parameters ndmx and nbrx are no more ne
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2007-11-13 15:15:28 +00:00 |
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init_gipaw_2.f90
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paw.f90, init_paw_1.f90 and init_paw_2.f90 in PW/, moved to GIPAW/
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2007-11-06 15:15:49 +00:00 |
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init_us_2_no_phase.f90
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Small change after introduction of the pseudo_upf type. (D.C.)
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2007-10-09 14:26:36 +00:00 |
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j_para.f90
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- changed all 'nmr_*' and 'magn_*' into 'gipaw_*' for all references to the
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2007-01-15 11:45:23 +00:00 |
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make.depend
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- cleanup, poolreduce replaced by mp_sum(...,inter_pool_comm)
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2008-01-23 17:27:20 +00:00 |
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paw_gipaw.f90
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Temporary hack until GIPAW becomes more ``dynamic''. (D.C.)
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2007-11-16 10:50:27 +00:00 |
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stop_code.f90
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Initial release (previously developed against tag QE-3-1-1 in directory
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2007-01-15 11:29:24 +00:00 |
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suscept_crystal.f90
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- cleanup, poolreduce replaced by mp_sum(...,inter_pool_comm)
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2008-01-23 17:27:20 +00:00 |
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sym_cart_tensor.f90
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Initial release (previously developed against tag QE-3-1-1 in directory
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2007-01-15 11:29:24 +00:00 |
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symmetrize_field.f90
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- scatter/gather like subroutines that act on fft grids,
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2008-01-08 09:19:31 +00:00 |
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test_sum_rule.f90
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- cleanup, poolreduce replaced by mp_sum(...,inter_pool_comm)
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2008-01-23 17:27:20 +00:00 |
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write_tensor_field.f90
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- changed all 'nmr_*' and 'magn_*' into 'gipaw_*' for all references to the
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2007-01-15 11:45:23 +00:00 |
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