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Fixed a number of typos (source code comments). (#302)

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hfp committed Apr 15, 2019
1 parent ffd0abc commit 3a41d2f63226d2229110fe7f711bd9c1758ee531
@@ -1249,7 +1249,7 @@ SUBROUTINE merge_ks_matrix_none(qs_env)
CALL dbcsr_set(matrix_k_tilde, 0.0_dp)
CALL copy_fm_to_dbcsr(admm_env%work_orb_orb, matrix_k_tilde, keep_sparsity=.TRUE.)

! Scale matrix_K_tilde here. Then, the scaling has to be done for forces seperately
! Scale matrix_K_tilde here. Then, the scaling has to be done for forces separately
! Scale matrix_K_tilde by gsi for ADMMQ and ADMMS (Eqs. (27), (37) in Merlot, 2014)
IF (admm_env%charge_constrain) THEN
CALL dbcsr_scale(matrix_k_tilde, admm_env%gsi(ispin))
@@ -857,7 +857,7 @@ END SUBROUTINE gev_arnoldi_init_${nametype1}$
!> \brief builds the basis rothogonal wrt. teh metric.
!> The structure looks similar to normal arnoldi but norms, vectors and
!> matrix_vector products are very differently defined. Therefore it is
!> cleaner to put it in a seperate subroutine to avoid confusion
!> cleaner to put it in a separate subroutine to avoid confusion
!> \param matrix ...
!> \param vectors ...
!> \param arnoldi_data ...
@@ -355,7 +355,7 @@ SUBROUTINE get_runtime_info()
!> \brief Writes the header for the restart file
!> \param iunit ...
!> \par History
!> 01.2008 [created] - Splitted from write_restart
!> 01.2008 [created] - Split from write_restart
!> \author Teodoro Laino - University of Zurich - 01.2008
! **************************************************************************************************
SUBROUTINE write_restart_header(iunit)
@@ -6,7 +6,7 @@
! **************************************************************************************************
!> \brief utils to manipulate splines on the regular grid of a pw
!> \par History
!> 01.2014 move routines related to input_section_types to seperate file.
!> 01.2014 move routines related to input_section_types to separate file.
!> \author Ole Schuett
! **************************************************************************************************
MODULE cp_spline_utils
@@ -637,7 +637,7 @@ SUBROUTINE add_force_nonbond(f_nonbond_a, f_nonbond_b, pv, fscalar, rab, use_vir
!> \param cell ...
!> \param use_virial ...
!> \par History
!> Splitted routines to clean and to fix a bug with the tensor whose
!> Split routines to clean and to fix a bug with the tensor whose
!> original definition was not correct for PBC.. [Teodoro Laino -06/2007]
! **************************************************************************************************
SUBROUTINE bonded_correct_gaussian(fist_nonbond_env, atomic_kind_set, &
@@ -898,7 +898,7 @@ END SUBROUTINE bonded_correct_gaussian
!> \param atprop_env ...
!> \param use_virial ...
!> \par History
!> Splitted routines to clean and to fix a bug with the tensor whose
!> Split routines to clean and to fix a bug with the tensor whose
!> original definition was not correct for PBC..
!> \author Teodoro Laino
! **************************************************************************************************
@@ -1002,7 +1002,7 @@ END SUBROUTINE bonded_correct_gaussian_low
!> \param atprop_env ...
!> \param use_virial ...
!> \par History
!> Splitted routines to clean and to fix a bug with the tensor whose
!> Split routines to clean and to fix a bug with the tensor whose
!> original definition was not correct for PBC..
!> \author Teodoro Laino
! **************************************************************************************************
@@ -91,7 +91,7 @@ PURE FUNCTION get_elpa_number_kernels() RESULT(num)
END FUNCTION get_elpa_number_kernels

! **************************************************************************************************
!> \brief Returns the names of the availabel ELPA kernels
!> \brief Returns the names of the available ELPA kernels
!> \return ...
! **************************************************************************************************
FUNCTION get_elpa_kernel_names() RESULT(names)
@@ -120,7 +120,7 @@ FUNCTION get_elpa_kernel_names() RESULT(names)
END FUNCTION get_elpa_kernel_names

! **************************************************************************************************
!> \brief Returns the description texts of the availabel ELPA kernels
!> \brief Returns the description texts of the available ELPA kernels
!> \return ...
! **************************************************************************************************
FUNCTION get_elpa_kernel_descriptions() RESULT(descriptions)
@@ -12,7 +12,7 @@
!> and not atom pairs (triples etc)
!> Teo (11.2005) : Moved all information on force field pair_potential to
!> a much lighter memory structure
!> Teo 09.2006 : Splitted all routines force_field I/O in a separate file
!> Teo 09.2006 : Split all routines force_field I/O in a separate file
!> 10.2008 Teodoro Laino [tlaino] : splitted from force_fields_input in order
!> to collect in a unique module only the functions to read external FF
!> \author CJM
@@ -12,7 +12,7 @@
!> and not atom pairs (triples etc)
!> Teo (11.2005) : Moved all information on force field pair_potential to
!> a much lighter memory structure
!> Teo 09.2006 : Splitted all routines force_field I/O in a separate file
!> Teo 09.2006 : Split all routines force_field I/O in a separate file
!> \author CJM
! **************************************************************************************************
MODULE force_fields_input
@@ -259,7 +259,7 @@ SUBROUTINE qs_header(iw)
"** **", &
"** ... make the atoms dance **", &
"** **", &
"** Copyright (C) by CP2K developers group (2000 - 2018) **", &
"** Copyright (C) by CP2K developers group (2000 - 2019) **", &
"** **", &
"*******************************************************************************"
END SUBROUTINE qs_header
@@ -416,7 +416,7 @@ SUBROUTINE create_ls_curvy_section(section)
CALL keyword_release(keyword)

CALL keyword_create(keyword, name="FILTER_FACTOR", &
description="Allows to set a seperate EPS_FILTER in the newton iterations."// &
description="Allows to set a separate EPS_FILTER in the newton iterations."// &
" The new EPS is EPS_FILTER*FILTER_FACTOR.", &
usage="FILTER_FACTOR 10.0", default_r_val=1.0_dp)
CALL section_add_keyword(section, keyword)
@@ -294,7 +294,7 @@ SUBROUTINE kpoint_env_initialize(kpoint)
nkp = kpoint%nkp
npe = para_env%num_pe
IF (npe == 1) THEN
! only one process availabe -> owns all kpoints
! only one process available -> owns all kpoints
ALLOCATE (kp_env(nkp))
DO ik = 1, nkp
NULLIFY (kp_env(ik)%kpoint_env)
@@ -348,13 +348,13 @@ SUBROUTINE mixed_cdft_init(force_env, calculate_forces)
" CDFT state and subsequently copied to the other states"
ELSE
WRITE (iounit, FMT="(T2,A,T71)") &
"MIXED_CDFT| The constraints are seperately built for all CDFT states"
"MIXED_CDFT| The constraints are separately built for all CDFT states"
END IF
CASE (mixed_cdft_parallel_nobuild)
WRITE (iounit, FMT="(T2,A,T71)") &
"MIXED_CDFT| CDFT states calculation mode: parallel without build"
WRITE (iounit, FMT="(T2,A,T71)") &
"MIXED_CDFT| The constraints are seperately built for all CDFT states"
"MIXED_CDFT| The constraints are separately built for all CDFT states"
CASE DEFAULT
CPABORT("Unknown mixed CDFT run type.")
END SELECT
@@ -6,7 +6,7 @@
! **************************************************************************************************
!> \brief parameters that control the outer loop of an SCF iteration
!> \par History
!> 09.2018 created by moving outer SCF types to seperate module [Nico Holmberg]
!> 09.2018 created by moving outer SCF types to separate module [Nico Holmberg]
!> \author Nico Holmberg
! **************************************************************************************************
MODULE outer_scf_control_types
@@ -1313,7 +1313,7 @@ SUBROUTINE rs_pw_transfer_distributed(rs, pw, dir)
! find the processors that should hold our data
! should be part of the rs grid type
! this is a loop over real ranks (i.e. the in-order cartesian ranks)
! do the recv and send tasks in two seperate loops which will
! do the recv and send tasks in two separate loops which will
! load balance better for OpenMP with large numbers of MPI tasks

!$OMP PARALLEL DO DEFAULT(NONE), &
@@ -1539,7 +1539,7 @@ SUBROUTINE rs_pw_transfer_distributed(rs, pw, dir)
! find the processors that should hold our data
! should be part of the rs grid type
! this is a loop over real ranks (i.e. the in-order cartesian ranks)
! do the recv and send tasks in two seperate loops which will
! do the recv and send tasks in two separate loops which will
! load balance better for OpenMP with large numbers of MPI tasks

! this is the reverse of rs2pw: what were the sends are now the recvs
@@ -75,7 +75,7 @@ MODULE qs_scf_post_se
!> specific for Semi-empirical calculations
!> \param qs_env the qs_env in which the qs_env lives
!> \par History
!> 07.2008 created [tlaino] - Splitted from qs_scf_post (general)
!> 07.2008 created [tlaino] - Split from qs_scf_post (general)
!> \author tlaino
!> \note
!> this function changes mo_eigenvectors and mo_eigenvalues, depending on the print keys.
@@ -135,7 +135,7 @@ PROGRAM cp2k_shell
CALL m_getarg(1, out_filename)
IF(m_iargc()>1 .OR. out_filename(:16) /= "--redirect-comm=") &
CPABORT("Usage: cp2k_shell [--redirect-comm=filename]")
! Redirect shell-output away from stdout into a seperate file/pipe.
! Redirect shell-output away from stdout into a separate file/pipe.
! This is used e.g. by the ASE calculator.
CALL open_file(file_name=TRIM(out_filename(17:)), unit_number=sout,&
file_position="ASIS",&
@@ -661,7 +661,7 @@ SUBROUTINE create_farming_section(section)
keyword, name="MASTER_SLAVE", &
description="If a master-slave setup should be employed, in which one process is used to distribute the tasks. "// &
"This is most useful to load-balance if not all jobs have the same length, "// &
"and a lot of CPUs/groups are availabe.", &
"and a lot of CPUs/groups are available.", &
usage="MASTER_SLAVE", default_l_val=.FALSE., lone_keyword_l_val=.TRUE.)
CALL section_add_keyword(section, keyword)
CALL keyword_release(keyword)
@@ -684,7 +684,7 @@ END FUNCTION cost_model
!> tasks(3,i) := compressed type (iatom, jatom, ....)
!> tasks(4,i) := type (0: replicated, 1: distributed local, 2: distributed generalised)
!> tasks(5,i) := cost
!> tasks(6,i) := alternate destination code (0 if none availabe)
!> tasks(6,i) := alternate destination code (0 if none available)
!>
!> \param tasks ...
!> \param dist_ab ...
@@ -413,7 +413,7 @@ END SUBROUTINE create_status_message
!! **************************************************************************************************
!!> \brief the message for sending the atom mass
!!> (number of atoms is also tranfered)
!!> atom names have to be done seperately,
!!> atom names have to be done separately,
!!> because character send only with bcast possible
!!> \param tmc_parms th send the cell properties
!!> \param m_send the message structure
@@ -455,7 +455,7 @@ END SUBROUTINE create_status_message
!! **************************************************************************************************
!!> \brief the message for reading the atom mass
!!> (number of atoms is also tranfered)
!!> atom names have to be done seperately,
!!> atom names have to be done separately,
!!> because character send only with bcast possible
!!> \param tmc_parms th send the cell properties
!!> \param m_send the message structure
@@ -851,7 +851,7 @@ END SUBROUTINE add_mv_prob

! **************************************************************************************************
!> \brief clear the statistics of accepting/rejection moves
!> because worker statistics will be add seperatelly on masters counters
!> because worker statistics will be add separately on masters counters
!> \param move_types counters for acceptance/rejection
!> \author Mandes 02.2013
! **************************************************************************************************
@@ -5,7 +5,7 @@

! **************************************************************************************************
!> \brief tree nodes acceptance
!> code is seperated in 3 parts, first the acceptance criteria,
!> code is separated in 3 parts, first the acceptance criteria,
!> second the tree node acceptance handling, searching etc. and
!> than the acceptance probability handling
!> \par History
@@ -9,7 +9,7 @@
!> (in case of parallel tempering) several global tree node refer to a
!> single sub tree node (which is the changed one in the global tree)
!> - the references are used to update the global tree acceptance probability
!> for every global tree element seperately
!> for every global tree element separately
!> Hence a list of all global tree nodes, using the related subtree node,
!> is created.
!> \par History

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