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integral_setup_dipole.f90
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integral_setup_dipole.f90
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!
! ParaGauss, a program package for high-performance computations of
! molecular systems
!
! Copyright (C) 2014 T. Belling, T. Grauschopf, S. Krüger,
! F. Nörtemann, M. Staufer, M. Mayer, V. A. Nasluzov, U. Birkenheuer,
! A. Hu, A. V. Matveev, A. V. Shor, M. S. K. Fuchs-Rohr, K. M. Neyman,
! D. I. Ganyushin, T. Kerdcharoen, A. Woiterski, A. B. Gordienko,
! S. Majumder, M. H. i Rotllant, R. Ramakrishnan, G. Dixit,
! A. Nikodem, T. Soini, M. Roderus, N. Rösch
!
! This program is free software; you can redistribute it and/or modify
! it under the terms of the GNU General Public License version 2 as
! published by the Free Software Foundation [1].
!
! This program is distributed in the hope that it will be useful, but
! WITHOUT ANY WARRANTY; without even the implied warranty of
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
! General Public License for more details.
!
! [1] http://www.gnu.org/licenses/gpl-2.0.html
!
! Please see the accompanying LICENSE file for further information.
!
!=====================================================================
! Public interface of module
!=====================================================================
subroutine integral_setup_dipole()
!-------------------------------------------------------------------
!
! Purpose: Contains calls to setup-routines to be executed
! at beginning of dipole integral calculation.
!
! Subroutine called by: integral_main_dipole, main_slave
!
! Author: TB
! Date: 7/97
!
!
!-------------------------------------------------------------------
!===================================================================
! End of public interface of module
!===================================================================
!-------------------------------------------------------------------
! Modifications
!-------------------------------------------------------------------
!
! Modification (Please copy before editing)
! Author: ...
! Date: ...
! Description: ...
!
!-------------------------------------------------------------------
!------------ Modules used -----------------------------------------
use type_module ! type specification parameters
use output_module, only: output_int_detailedprogress
use iounitadmin_module
use timer_module
use time_module
use integralpar_module
use comm_module, only: comm_i_am_master
implicit none
!-------------------------------------------------------------------
!------------ Executable code -----------------------------------
if (output_int_detailedprogress) call write_to_output_units( &
"integral_setup_dipole: begin")
if ( .not. comm_i_am_master() ) then
call start_timer(timer_int_2cob3c(integralpar_i_int_part))
call start_timer(timer_int_idle_2cob3c(integralpar_i_int_part))
endif
if (output_int_detailedprogress) call write_to_output_units( &
"integral_setup_dipole: end")
end subroutine integral_setup_dipole