Commit a74b3ec7 authored by Oleksandr Motornyi's avatar Oleksandr Motornyi

OM

parent 96f600bc
This diff is collapsed.
......@@ -27,11 +27,7 @@ USE force_mod, ONLY: force, sigma
USE control_flags,ONLY: nstep, n_scf_steps, scf_error, conv_elec
USE fcp_variables,ONLY: fcp_mu, lfcpopt, lfcpdyn
USE extfield, ONLY: gate, etotgatefield, tefield, etotefield
<<<<<<< HEAD
USE input_parameters, ONLY: max_xml_steps
=======
USE control_flags, ONLY: max_xml_steps
>>>>>>> 0efe83d29ae4c5f0bd004403548617d997955670
!-----------------------------------------------------------------------------
! END_GLOBAL_VARIABLES
!-----------------------------------------------------------------------------
......@@ -62,21 +58,12 @@ INTEGER :: stride = 1, max_xml_steps_
IF ( max_xml_steps > 0 ) THEN
stride = nstep/max_xml_steps
<<<<<<< HEAD
=======
IF (nstep/stride > max_xml_steps) stride = stride+1
>>>>>>> 0efe83d29ae4c5f0bd004403548617d997955670
max_xml_steps_ = max_xml_steps+2
ELSE
max_xml_steps_ = nstep
END IF
<<<<<<< HEAD
IF (.NOT. ( i_step == 1 .OR. MOD(i_step-1, stride) == 0 .OR. i_step == nstep)) RETURN
=======
IF (.NOT. ( i_step == 1 .OR. MOD(i_step-1, stride) == 0 .OR. i_step == nstep)) RETURN
>>>>>>> 0efe83d29ae4c5f0bd004403548617d997955670
NULLIFY(potstat_contr_ptr, fcp_force_ptr, fcp_tot_charge_ptr, demet_ptr, degauss_ptr, &
gatefield_en_ptr, efield_corr_ptr)
!
......
......@@ -48,7 +48,6 @@ SUBROUTINE lr_readin
USE esm, ONLY : do_comp_esm
USE qpoint, ONLY : xq
USE io_rho_xml, ONLY : write_scf
USE noncollin_module, ONLY : noncolin
USE mp_bands, ONLY : ntask_groups
USE constants, ONLY : eps4
USE control_lr, ONLY : lrpa
......
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