some Ford related fixes

This commit is contained in:
fabrizio22 2021-12-02 18:04:49 +01:00
parent 3bc91eb6bf
commit d97c5b8ce3
4 changed files with 9 additions and 3 deletions

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@ -11,7 +11,7 @@ subroutine drhodvnl (ik, ikk, nper, nu_i0, wdyn, becp1, alphap, &
dbecq, dalpq)
!-----------------------------------------------------------------------
!! This subroutine computes the electronic term
!! \(2\langle d\psi|dv-e ds|\psi\rangle
!! \(2\langle d\psi|dv-e ds|\psi\rangle \)
!! of the dynamical matrix. It can be used both for KB and for US
!! pseudopotentials. All the nonlocal (and overlap matrix) terms
!! are computed here. The contribution of the local potential is not

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@ -1,6 +1,10 @@
title: Quantum Espresso PWSCF
src_dir: ./src/
output_dir: ./doc
include: ./../LAXlib
./../KS_Solvers
exclude: laxlib.fh
ks_solver_interfaces.fh
project_website: http://www.quantum-espresso.org/
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.
authors: Paolo Giannozzi et al.

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@ -227,7 +227,8 @@ SUBROUTINE diag_bands( iter, ik, avg_iter )
USE becmod_subs_gpum, ONLY : using_becp_auto
IMPLICIT NONE
!
INCLUDE 'ks_solver_interfaces.fh'
! please do not capitalize (FORD rules)
include 'ks_solver_interfaces.fh'
!
INTEGER, INTENT(IN) :: iter
!! iteration index

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@ -58,7 +58,8 @@ SUBROUTINE memory_report()
!
IMPLICIT NONE
!
INCLUDE 'laxlib.fh'
! please do not capitalize (FORD rules)
include 'laxlib.fh'
!
INTEGER, PARAMETER :: MB=1024*1024
INTEGER, PARAMETER :: GB=1024*MB