mirror of https://gitlab.com/QEF/q-e.git
some Ford related fixes
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@ -11,7 +11,7 @@ subroutine drhodvnl (ik, ikk, nper, nu_i0, wdyn, becp1, alphap, &
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dbecq, dalpq)
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!-----------------------------------------------------------------------
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!! This subroutine computes the electronic term
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!! \(2\langle d\psi|dv-e ds|\psi\rangle
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!! \(2\langle d\psi|dv-e ds|\psi\rangle \)
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!! of the dynamical matrix. It can be used both for KB and for US
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!! pseudopotentials. All the nonlocal (and overlap matrix) terms
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!! are computed here. The contribution of the local potential is not
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@ -1,6 +1,10 @@
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title: Quantum Espresso PWSCF
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src_dir: ./src/
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output_dir: ./doc
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include: ./../LAXlib
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./../KS_Solvers
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exclude: laxlib.fh
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ks_solver_interfaces.fh
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project_website: http://www.quantum-espresso.org/
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summary: Quantum Espresso is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
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authors: Paolo Giannozzi et al.
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@ -227,7 +227,8 @@ SUBROUTINE diag_bands( iter, ik, avg_iter )
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USE becmod_subs_gpum, ONLY : using_becp_auto
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IMPLICIT NONE
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!
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INCLUDE 'ks_solver_interfaces.fh'
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! please do not capitalize (FORD rules)
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include 'ks_solver_interfaces.fh'
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!
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INTEGER, INTENT(IN) :: iter
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!! iteration index
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@ -58,7 +58,8 @@ SUBROUTINE memory_report()
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!
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IMPLICIT NONE
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!
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INCLUDE 'laxlib.fh'
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! please do not capitalize (FORD rules)
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include 'laxlib.fh'
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!
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INTEGER, PARAMETER :: MB=1024*1024
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INTEGER, PARAMETER :: GB=1024*MB
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