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update to 2018

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svn-origin-rev: 18189
This commit is contained in:
Ole Schütt 2018-01-01 02:06:15 +00:00
parent 12c17ed6e1
commit 2f34ea5cbd
1155 changed files with 1156 additions and 1156 deletions
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2
COPYRIGHT
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! Copyright (C) 2004, 2005, 2006, 2007 CP2K developers group !
! Copyright (C) 2008, 2009, 2010, 2011 CP2K developers group !
! Copyright (C) 2012, 2013, 2014, 2015 CP2K developers group !
! Copyright (C) 2016, 2017 CP2K developers group !
! Copyright (C) 2016, 2017, 2018 CP2K developers group !
! !
! This program is free software; you can redistribute it and/or modify !
! it under the terms of the GNU General Public License as published by !

2
src/acc/acc_device.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
MODULE acc_device

2
src/acc/acc_devmem.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/acc/acc_event.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/acc/acc_hostmem.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/acc/acc_stream.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/acc/cuda/acc_cuda_dev.cu
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
#include <cuda_runtime.h>

2
src/acc/cuda/acc_cuda_error.cu
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
#include <cuda_runtime.h>

2
src/acc/cuda/acc_cuda_error.h
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
int cuda_error_check (cudaError_t cudaError);

2
src/acc/cuda/acc_cuda_event.cu
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
#include <cuda_runtime.h>

2
src/acc/cuda/acc_cuda_mem.cu
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
#include <cuda_runtime.h>

2
src/acc/cuda/acc_cuda_stream.cu
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
#include <cuda_runtime.h>

2
src/acc/include/acc.h
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
#include <stddef.h>

2
src/acc/mic/libmicacc.c
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
//! **************************************************************************

2
src/acc/mic/libmicacc.h
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
//! **************************************************************************

2
src/acc/opencl/acc_opencl_dev.c
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
#if defined (__ACC) && defined (__OPENCL)

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src/acc/opencl/acc_opencl_dev.h
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
#ifndef ACC_OPENCL_DEV_H

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src/acc/opencl/acc_opencl_error.c
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
#if defined (__ACC) && defined (__OPENCL)

2
src/acc/opencl/acc_opencl_error.h
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
#ifndef ACC_OPENCL_ERROR_H

2
src/acc/opencl/acc_opencl_event.c
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
#if defined (__ACC) && defined (__OPENCL)

2
src/acc/opencl/acc_opencl_mem.c
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
#if defined (__ACC) && defined (__OPENCL)

2
src/acc/opencl/acc_opencl_mem.h
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
#ifndef ACC_OPENCL_MEM_H

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src/acc/opencl/acc_opencl_stream.c
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/

2
src/acc/opencl/acc_opencl_stream.h
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/*****************************************************************************
* CP2K: A general program to perform molecular dynamics simulations *
* Copyright (C) 2000 - 2017 CP2K developers group *
* Copyright (C) 2000 - 2018 CP2K developers group *
*****************************************************************************/
#ifndef ACC_OPENCL_STREAM_H

2
src/admm_dm_methods.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/admm_dm_types.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/admm_methods.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/admm_types.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/admm_utils.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/al_system_types.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/almo_scf.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/almo_scf_diis_types.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/almo_scf_env_methods.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/almo_scf_methods.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/almo_scf_optimizer.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/almo_scf_qs.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/almo_scf_types.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_angmom.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_contraction.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_contraction_sphi.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_coulomb.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_coulomb_test.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_derivatives.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_elec_field.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_eri_debug.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_fermi_contact.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_kinetic.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_moments.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_onecenter.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
!-----------------------------------------------------------------------------!

2
src/aobasis/ai_oneelectron.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_operator_ra2m.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_operators_r12.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_os_rr.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
MODULE ai_os_rr

2
src/aobasis/ai_overlap.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_overlap3.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
!!****** cp2k/ai_overlap3 [1.0] *
!!

2
src/aobasis/ai_overlap3_debug.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_overlap_aabb.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_overlap_debug.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_overlap_ppl.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_spin_orbit.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ai_verfc.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/ao_util.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/aux_basis_set.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/basis_set_container_types.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/basis_set_types.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/orbital_pointers.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/orbital_symbols.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/orbital_transformation_matrices.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/soft_basis_set.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/aobasis/sto_ng.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/arnoldi/arnoldi.fypp
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#!-------------------------------------------------------------------------------------------------!
#! CP2K: A general program to perform molecular dynamics simulations !
#! Copyright (C) 2000 - 2017 CP2K developers group !
#! Copyright (C) 2000 - 2018 CP2K developers group !
#!-------------------------------------------------------------------------------------------------!
#:mute
#:set nametype1 = ['d', 's', 'z', 'c']

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src/arnoldi/arnoldi_api.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/arnoldi/arnoldi_data_methods.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/arnoldi/arnoldi_geev.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/arnoldi/arnoldi_methods.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/arnoldi/arnoldi_types.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_admm_methods.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_basis.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_electronic_structure.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_energy.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_fit.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_grb.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_kind_orbitals.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_operators.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_optimization.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_output.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_pseudo.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_sgp.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_types.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_upf.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_utils.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atom_xc.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atomic_charges.F
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@ -1,6 +1,6 @@
!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/atoms_input.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/auto_basis.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/base/base_hooks.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/base/kinds.F
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@ -1,6 +1,6 @@
!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/base/machine.F
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@ -1,6 +1,6 @@
!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
! **************************************************************************************************

2
src/base/machine_internal.F
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!--------------------------------------------------------------------------------------------------!
! CP2K: A general program to perform molecular dynamics simulations !
! Copyright (C) 2000 - 2017 CP2K developers group !
! Copyright (C) 2000 - 2018 CP2K developers group !
!--------------------------------------------------------------------------------------------------!
MODULE machine_internal

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