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Fix conventions (#3485)

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Fixes convention violations (except those from the lately introduced ones regarding k-point symmetries)
This commit is contained in:
Frederick Stein 2024-06-18 11:37:41 +02:00 • committed by GitHub
parent 17f893d634
commit 7dca6e979f
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GPG key ID: B5690EEEBB952194
3 changed files with 24 additions and 29 deletions
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46
src/extended_system_types.F
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@ -40,45 +40,45 @@ MODULE extended_system_types
! **************************************************************************************************
TYPE npt_info_type
REAL(KIND=dp) :: eps
REAL(KIND=dp) :: v
REAL(KIND=dp) :: f
REAL(KIND=dp) :: mass
REAL(KIND=dp) :: eps = -1.0_dp
REAL(KIND=dp) :: v = -1.0_dp
REAL(KIND=dp) :: f = -1.0_dp
REAL(KIND=dp) :: mass = -1.0_dp
END TYPE npt_info_type
! **************************************************************************************************
TYPE nhc_info_type
INTEGER :: degrees_of_freedom
REAL(KIND=dp) :: eta
REAL(KIND=dp) :: v
REAL(KIND=dp) :: f
REAL(KIND=dp) :: nkt
REAL(KIND=dp) :: mass
INTEGER :: degrees_of_freedom = -1
REAL(KIND=dp) :: eta = -1.0_dp
REAL(KIND=dp) :: v = -1.0_dp
REAL(KIND=dp) :: f = -1.0_dp
REAL(KIND=dp) :: nkt = -1.0_dp
REAL(KIND=dp) :: mass = -1.0_dp
END TYPE nhc_info_type
! **************************************************************************************************
TYPE point_info_type
REAL(KIND=dp), POINTER :: point
REAL(KIND=dp), POINTER :: point => NULL()
END TYPE point_info_type
! **************************************************************************************************
TYPE map_info_type
INTEGER :: dis_type
INTEGER, POINTER, DIMENSION(:) :: index, map_index
REAL(KIND=dp), POINTER, DIMENSION(:) :: v_scale
REAL(KIND=dp), POINTER, DIMENSION(:) :: s_kin
TYPE(point_info_type), POINTER, DIMENSION(:, :) :: p_scale
TYPE(point_info_type), POINTER, DIMENSION(:, :) :: p_kin
INTEGER :: dis_type = -1
INTEGER, POINTER, DIMENSION(:) :: index => NULL(), map_index => NULL()
REAL(KIND=dp), POINTER, DIMENSION(:) :: v_scale => NULL()
REAL(KIND=dp), POINTER, DIMENSION(:) :: s_kin => NULL()
TYPE(point_info_type), POINTER, DIMENSION(:, :) :: p_scale => NULL()
TYPE(point_info_type), POINTER, DIMENSION(:, :) :: p_kin => NULL()
END TYPE map_info_type
! **************************************************************************************************
TYPE lnhc_parameters_type
INTEGER :: nyosh, nc, nhc_len
INTEGER :: glob_num_nhc, loc_num_nhc, region
REAL(KIND=dp) :: tau_nhc, dt_fact
REAL(KIND=dp), POINTER :: dt_yosh(:)
TYPE(nhc_info_type), POINTER :: nvt(:, :)
TYPE(map_info_type), POINTER :: map_info
INTEGER :: nyosh = -1, nc = -1, nhc_len = -1
INTEGER :: glob_num_nhc = -1, loc_num_nhc = -1, region = -1
REAL(KIND=dp) :: tau_nhc = -1.0_dp, dt_fact = -1.0_dp
REAL(KIND=dp), POINTER :: dt_yosh(:) => NULL()
TYPE(nhc_info_type), POINTER :: nvt(:, :) => NULL()
TYPE(map_info_type), POINTER :: map_info => NULL()
END TYPE lnhc_parameters_type
CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'extended_system_types'

2
src/ipi_environment_types.F
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@ -74,7 +74,7 @@ MODULE ipi_environment_types
TYPE(cp_subsys_type), POINTER :: subsys => Null()
TYPE(section_vals_type), POINTER :: force_env_input => Null()
TYPE(cell_type), POINTER :: cell_ref => Null()
INTEGER :: sockfd
INTEGER :: sockfd = -1
END TYPE ipi_environment_type
CONTAINS

5
tools/conventions/conventions.supp
View file

@ -54,11 +54,6 @@ eip_silicon.F: Found WRITE statement with hardcoded unit in "eip_lenosky_silicon
eip_silicon.F: Found WRITE statement with hardcoded unit in "subfeniat_b" https://cp2k.org/conv#c012
eip_silicon.F: Found WRITE statement with hardcoded unit in "subfeniat_l" https://cp2k.org/conv#c012
extended_system_init.F: Found WRITE statement with hardcoded unit in "init_barostat_variables" https://cp2k.org/conv#c012
extended_system_types.F: Found type lnhc_parameters_type without initializer https://cp2k.org/conv#c016
extended_system_types.F: Found type map_info_type without initializer https://cp2k.org/conv#c016
extended_system_types.F: Found type nhc_info_type without initializer https://cp2k.org/conv#c016
extended_system_types.F: Found type npt_info_type without initializer https://cp2k.org/conv#c016
extended_system_types.F: Found type point_info_type without initializer https://cp2k.org/conv#c016
farming_methods.F: Found CLOSE statement in procedure "farming_parse_input" https://cp2k.org/conv#c204
farming_methods.F: Found OPEN statement in procedure "farming_parse_input" https://cp2k.org/conv#c203
fftw3_lib.F: Same actual argument associated with INTENT(OUT) argument 'in' and INTENT(OUT) argument 'out' at (1)