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mixed_environment_types.F
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1!--------------------------------------------------------------------------------------------------!
2! CP2K: A general program to perform molecular dynamics simulations !
3! Copyright 2000-2024 CP2K developers group <https://cp2k.org> !
4! !
5! SPDX-License-Identifier: GPL-2.0-or-later !
6!--------------------------------------------------------------------------------------------------!
7
8! **************************************************************************************************
9!> \author fschiff SEPT-11-06
10! **************************************************************************************************
11MODULE mixed_environment_types
12 USE atomic_kind_list_types, ONLY: atomic_kind_list_create,&
13 atomic_kind_list_release,&
14 atomic_kind_list_type
15 USE atomic_kind_types, ONLY: atomic_kind_type
16 USE cell_types, ONLY: cell_release,&
17 cell_retain,&
18 cell_type
19 USE cp_log_handling, ONLY: cp_logger_p_type,&
20 cp_logger_release
21 USE cp_result_types, ONLY: cp_result_type
22 USE cp_subsys_types, ONLY: cp_subsys_get,&
23 cp_subsys_release,&
24 cp_subsys_set,&
25 cp_subsys_type
26 USE distribution_1d_types, ONLY: distribution_1d_type
27 USE input_section_types, ONLY: section_vals_release,&
28 section_vals_retain,&
29 section_vals_type
30 USE kinds, ONLY: default_path_length,&
31 default_string_length,&
32 dp
33 USE message_passing, ONLY: mp_para_env_p_type,&
34 mp_para_env_release,&
35 mp_para_env_type
36 USE mixed_cdft_types, ONLY: mixed_cdft_type,&
37 mixed_cdft_type_release
38 USE mixed_energy_types, ONLY: deallocate_mixed_energy,&
39 mixed_energy_type
40 USE molecule_kind_list_types, ONLY: molecule_kind_list_create,&
41 molecule_kind_list_release,&
42 molecule_kind_list_type
43 USE molecule_kind_types, ONLY: molecule_kind_type
44 USE molecule_list_types, ONLY: molecule_list_create,&
45 molecule_list_release,&
46 molecule_list_type
47 USE molecule_types, ONLY: molecule_type
48 USE particle_list_types, ONLY: particle_list_create,&
49 particle_list_release,&
50 particle_list_type
51 USE particle_types, ONLY: particle_type
52 USE qs_rho_types, ONLY: qs_rho_p_type
53#include "./base/base_uses.f90"
54
55 IMPLICIT NONE
56 PRIVATE
57
58! **************************************************************************************************
59!> \param mixed_env the pointer to the mixed_env
60!> \par History
61!> 11/06 Created [fschiff]
62!> 12/15-12/16 Mixed CDFT [Nico Holmberg]
63! **************************************************************************************************
64 TYPE mixed_environment_type
65 TYPE(cell_type), POINTER :: cell_ref => null()
66 TYPE(mixed_energy_type), POINTER :: mixed_energy => null()
67 TYPE(mp_para_env_type), POINTER :: para_env => null()
68 TYPE(cp_subsys_type), POINTER :: subsys => null()
69 TYPE(section_vals_type), POINTER :: input => null()
70 REAL(kind=dp), DIMENSION(:), POINTER :: energies => null()
71 ! Parallelization of multiple force_eval
72 INTEGER :: ngroups = -1
73 INTEGER, DIMENSION(:), POINTER :: group_distribution => null()
74 TYPE(mp_para_env_p_type), DIMENSION(:), POINTER :: sub_para_env => null()
75 TYPE(cp_logger_p_type), DIMENSION(:), POINTER :: sub_logger => null()
76 REAL(kind=dp), POINTER, DIMENSION(:) :: val => null()
77 CHARACTER(LEN=default_string_length), &
78 DIMENSION(:), POINTER :: par => null()
79 REAL(kind=dp) :: dx = 0.0_dp, lerr = 0.0_dp
80 CHARACTER(default_path_length) :: coupling_function = ""
81 ! Mixed CDFT control parameters
82 LOGICAL :: do_mixed_cdft = .false., do_mixed_et = .false., &
83 do_mixed_qmmm_cdft = .false.
84 INTEGER :: et_freq = -1
85 REAL(kind=dp), DIMENSION(:, :), POINTER :: strength => null()
86 TYPE(mixed_cdft_type), POINTER :: cdft_control => null()
87 ! Densities from sunbsystem
88 TYPE(qs_rho_p_type), DIMENSION(:), ALLOCATABLE :: subsys_dens
89 END TYPE mixed_environment_type
90
91! *** Public data types ***
92
93 PUBLIC :: mixed_environment_type
94
95! *** Public subroutines ***
96
97 PUBLIC :: get_mixed_env, &
98 set_mixed_env, &
99 mixed_env_create, &
100 mixed_env_release
101
102 CHARACTER(len=*), PARAMETER, PRIVATE :: modulen = 'mixed_environment_types'
103
104CONTAINS
105
106! **************************************************************************************************
107!> \brief Get the MIXED environment.
108!> \param mixed_env the pointer to the mixed_env
109!> \param atomic_kind_set ...
110!> \param particle_set ...
111!> \param local_particles ...
112!> \param local_molecules ...
113!> \param molecule_kind_set ...
114!> \param molecule_set ...
115!> \param cell ...
116!> \param cell_ref ...
117!> \param mixed_energy ...
118!> \param para_env ...
119!> \param sub_para_env ...
120!> \param subsys ...
121!> \param input ...
122!> \param results ...
123!> \param cdft_control ...
124! **************************************************************************************************
125 SUBROUTINE get_mixed_env(mixed_env, atomic_kind_set, particle_set, &
126 local_particles, local_molecules, molecule_kind_set, &
127 molecule_set, cell, cell_ref, &
128 mixed_energy, para_env, sub_para_env, subsys, &
129 input, results, cdft_control)
130
131 TYPE(mixed_environment_type), INTENT(IN) :: mixed_env
132 TYPE(atomic_kind_type), OPTIONAL, POINTER :: atomic_kind_set(:)
133 TYPE(particle_type), OPTIONAL, POINTER :: particle_set(:)
134 TYPE(distribution_1d_type), OPTIONAL, POINTER :: local_particles, local_molecules
135 TYPE(molecule_kind_type), OPTIONAL, POINTER :: molecule_kind_set(:)
136 TYPE(molecule_type), OPTIONAL, POINTER :: molecule_set(:)
137 TYPE(cell_type), OPTIONAL, POINTER :: cell, cell_ref
138 TYPE(mixed_energy_type), OPTIONAL, POINTER :: mixed_energy
139 TYPE(mp_para_env_type), OPTIONAL, POINTER :: para_env
140 TYPE(mp_para_env_p_type), DIMENSION(:), OPTIONAL, &
141 POINTER :: sub_para_env
142 TYPE(cp_subsys_type), OPTIONAL, POINTER :: subsys
143 TYPE(section_vals_type), OPTIONAL, POINTER :: input
144 TYPE(cp_result_type), OPTIONAL, POINTER :: results
145 TYPE(mixed_cdft_type), OPTIONAL, POINTER :: cdft_control
146
147 TYPE(atomic_kind_list_type), POINTER :: atomic_kinds
148 TYPE(molecule_kind_list_type), POINTER :: molecule_kinds
149 TYPE(molecule_list_type), POINTER :: molecules
150 TYPE(particle_list_type), POINTER :: particles
151
152 NULLIFY (atomic_kinds, particles, molecules, molecule_kinds)
153 cpassert(ASSOCIATED(mixed_env%subsys))
154
155 IF (PRESENT(input)) input => mixed_env%input
156 IF (PRESENT(cell_ref)) cell_ref => mixed_env%cell_ref
157 IF (PRESENT(mixed_energy)) mixed_energy => mixed_env%mixed_energy
158 IF (PRESENT(para_env)) para_env => mixed_env%para_env
159 IF (PRESENT(sub_para_env)) sub_para_env => mixed_env%sub_para_env
160 IF (PRESENT(cdft_control)) cdft_control => mixed_env%cdft_control
161 IF (PRESENT(subsys)) subsys => mixed_env%subsys
162 CALL cp_subsys_get(mixed_env%subsys, &
163 atomic_kinds=atomic_kinds, &
164 local_molecules=local_molecules, &
165 local_particles=local_particles, &
166 particles=particles, &
167 molecule_kinds=molecule_kinds, &
168 molecules=molecules, &
169 results=results, &
170 cell=cell)
171 IF (PRESENT(atomic_kind_set)) atomic_kind_set => atomic_kinds%els
172 IF (PRESENT(particle_set)) particle_set => particles%els
173 IF (PRESENT(molecule_kind_set)) molecule_kind_set => molecule_kinds%els
174 IF (PRESENT(molecule_set)) molecule_set => molecules%els
175
176 END SUBROUTINE get_mixed_env
177
178! **************************************************************************************************
179!> \brief Set the MIXED environment.
180!> \param mixed_env the pointer to the mixed_env
181!> \param atomic_kind_set ...
182!> \param particle_set ...
183!> \param local_particles ...
184!> \param local_molecules ...
185!> \param molecule_kind_set ...
186!> \param molecule_set ...
187!> \param cell_ref ...
188!> \param mixed_energy ...
189!> \param subsys ...
190!> \param input ...
191!> \param sub_para_env ...
192!> \param cdft_control ...
193! **************************************************************************************************
194 SUBROUTINE set_mixed_env(mixed_env, atomic_kind_set, particle_set, &
195 local_particles, local_molecules, molecule_kind_set, &
196 molecule_set, cell_ref, mixed_energy, subsys, &
197 input, sub_para_env, cdft_control)
198
199 TYPE(mixed_environment_type), INTENT(INOUT) :: mixed_env
200 TYPE(atomic_kind_type), OPTIONAL, POINTER :: atomic_kind_set(:)
201 TYPE(particle_type), OPTIONAL, POINTER :: particle_set(:)
202 TYPE(distribution_1d_type), OPTIONAL, POINTER :: local_particles, local_molecules
203 TYPE(molecule_kind_type), OPTIONAL, POINTER :: molecule_kind_set(:)
204 TYPE(molecule_type), OPTIONAL, POINTER :: molecule_set(:)
205 TYPE(cell_type), OPTIONAL, POINTER :: cell_ref
206 TYPE(mixed_energy_type), OPTIONAL, POINTER :: mixed_energy
207 TYPE(cp_subsys_type), OPTIONAL, POINTER :: subsys
208 TYPE(section_vals_type), OPTIONAL, POINTER :: input
209 TYPE(mp_para_env_p_type), DIMENSION(:), OPTIONAL, &
210 POINTER :: sub_para_env
211 TYPE(mixed_cdft_type), OPTIONAL, POINTER :: cdft_control
212
213 TYPE(atomic_kind_list_type), POINTER :: atomic_kinds
214 TYPE(molecule_kind_list_type), POINTER :: molecule_kinds
215 TYPE(molecule_list_type), POINTER :: molecules
216 TYPE(particle_list_type), POINTER :: particles
217
218 IF (PRESENT(cell_ref)) THEN
219 CALL cell_retain(cell_ref)
220 CALL cell_release(mixed_env%cell_ref)
221 mixed_env%cell_ref => cell_ref
222 END IF
223 IF (PRESENT(input)) THEN
224 CALL section_vals_retain(input)
225 CALL section_vals_release(mixed_env%input)
226 mixed_env%input => input
227 END IF
228 IF (PRESENT(mixed_energy)) mixed_env%mixed_energy => mixed_energy
229 IF (PRESENT(subsys)) THEN
230 IF (ASSOCIATED(mixed_env%subsys)) THEN
231 IF (.NOT. ASSOCIATED(mixed_env%subsys, subsys)) THEN
232 CALL cp_subsys_release(mixed_env%subsys)
233 END IF
234 END IF
235 mixed_env%subsys => subsys
236 END IF
237 IF (PRESENT(sub_para_env)) THEN
238 mixed_env%sub_para_env => sub_para_env
239 END IF
240 IF (PRESENT(cdft_control)) mixed_env%cdft_control => cdft_control
241 IF (PRESENT(atomic_kind_set)) THEN
242 CALL atomic_kind_list_create(atomic_kinds, &
243 els_ptr=atomic_kind_set)
244 CALL cp_subsys_set(mixed_env%subsys, &
245 atomic_kinds=atomic_kinds)
246 CALL atomic_kind_list_release(atomic_kinds)
247 END IF
248 IF (PRESENT(particle_set)) THEN
249 CALL particle_list_create(particles, &
250 els_ptr=particle_set)
251 CALL cp_subsys_set(mixed_env%subsys, &
252 particles=particles)
253 CALL particle_list_release(particles)
254 END IF
255 IF (PRESENT(local_particles)) THEN
256 CALL cp_subsys_set(mixed_env%subsys, &
257 local_particles=local_particles)
258 END IF
259 IF (PRESENT(local_molecules)) THEN
260 CALL cp_subsys_set(mixed_env%subsys, &
261 local_molecules=local_molecules)
262 END IF
263 IF (PRESENT(molecule_kind_set)) THEN
264 CALL molecule_kind_list_create(molecule_kinds, els_ptr=molecule_kind_set)
265 CALL cp_subsys_set(mixed_env%subsys, molecule_kinds=molecule_kinds)
266 CALL molecule_kind_list_release(molecule_kinds)
267 END IF
268 IF (PRESENT(molecule_set)) THEN
269 CALL molecule_list_create(molecules, els_ptr=molecule_set)
270 CALL cp_subsys_set(mixed_env%subsys, molecules=molecules)
271 CALL molecule_list_release(molecules)
272 END IF
273
274 END SUBROUTINE set_mixed_env
275
276! **************************************************************************************************
277!> \brief allocates and intitializes a mixed_env
278!> \param mixed_env the object to create
279!> \param para_env the parallel environment for the qs_env
280!> \author fschiff 11.06
281! **************************************************************************************************
282 SUBROUTINE mixed_env_create(mixed_env, para_env)
283 TYPE(mixed_environment_type), INTENT(OUT) :: mixed_env
284 TYPE(mp_para_env_type), INTENT(IN), TARGET :: para_env
285
286 mixed_env%para_env => para_env
287 CALL mixed_env%para_env%retain()
288 END SUBROUTINE mixed_env_create
289
290! **************************************************************************************************
291!> \brief releases the given mixed_env (see doc/ReferenceCounting.html)
292!> \param mixed_env the object to release
293!> \author fschiff 11.06
294! **************************************************************************************************
295 SUBROUTINE mixed_env_release(mixed_env)
296 TYPE(mixed_environment_type), INTENT(INOUT) :: mixed_env
297
298 INTEGER :: i, ngroups
299
300 ngroups = SIZE(mixed_env%sub_para_env)
301 DO i = 1, ngroups
302 IF (ASSOCIATED(mixed_env%sub_para_env(i)%para_env)) THEN
303 CALL cp_logger_release(mixed_env%sub_logger(i)%p)
304 CALL mp_para_env_release(mixed_env%sub_para_env(i)%para_env)
305 END IF
306 END DO
307 DEALLOCATE (mixed_env%sub_para_env)
308 DEALLOCATE (mixed_env%sub_logger)
309 DEALLOCATE (mixed_env%energies)
310 IF (ASSOCIATED(mixed_env%par)) THEN
311 DEALLOCATE (mixed_env%par)
312 END IF
313 IF (ASSOCIATED(mixed_env%val)) THEN
314 DEALLOCATE (mixed_env%val)
315 END IF
316 CALL cell_release(mixed_env%cell_ref)
317 CALL mp_para_env_release(mixed_env%para_env)
318 CALL deallocate_mixed_energy(mixed_env%mixed_energy)
319 CALL cp_subsys_release(mixed_env%subsys)
320 CALL section_vals_release(mixed_env%input)
321 IF (ASSOCIATED(mixed_env%group_distribution)) THEN
322 DEALLOCATE (mixed_env%group_distribution)
323 END IF
324 IF (ASSOCIATED(mixed_env%cdft_control)) &
325 CALL mixed_cdft_type_release(mixed_env%cdft_control)
326 IF (ASSOCIATED(mixed_env%strength)) &
327 DEALLOCATE (mixed_env%strength)
328
329 END SUBROUTINE mixed_env_release
330
331END MODULE mixed_environment_types
atomic_kind_list_types
represent a simple array based list of the given type
Definition atomic_kind_list_types.F:15
atomic_kind_list_types::atomic_kind_list_release
subroutine, public atomic_kind_list_release(list)
releases a list (see doc/ReferenceCounting.html)
Definition atomic_kind_list_types.F:128
atomic_kind_list_types::atomic_kind_list_create
subroutine, public atomic_kind_list_create(list, els_ptr, owns_els, n_els)
creates a list
Definition atomic_kind_list_types.F:79
atomic_kind_types
Define the atomic kind types and their sub types.
Definition atomic_kind_types.F:23
cell_types
Handles all functions related to the CELL.
Definition cell_types.F:15
cell_types::cell_release
subroutine, public cell_release(cell)
releases the given cell (see doc/ReferenceCounting.html)
Definition cell_types.F:559
cell_types::cell_retain
subroutine, public cell_retain(cell)
retains the given cell (see doc/ReferenceCounting.html)
Definition cell_types.F:542
cp_log_handling
various routines to log and control the output. The idea is that decisions about where to log should ...
Definition cp_log_handling.F:41
cp_log_handling::cp_logger_release
subroutine, public cp_logger_release(logger)
releases this logger
Definition cp_log_handling.F:423
cp_result_types
set of type/routines to handle the storage of results in force_envs
Definition cp_result_types.F:18
cp_subsys_types
types that represent a subsys, i.e. a part of the system
Definition cp_subsys_types.F:16
cp_subsys_types::cp_subsys_release
subroutine, public cp_subsys_release(subsys)
releases a subsys (see doc/ReferenceCounting.html)
Definition cp_subsys_types.F:150
cp_subsys_types::cp_subsys_set
subroutine, public cp_subsys_set(subsys, atomic_kinds, particles, local_particles, molecules, molecule_kinds, local_molecules, para_env, colvar_p, shell_particles, core_particles, gci, multipoles, results, cell)
sets various propreties of the subsys
Definition cp_subsys_types.F:205
cp_subsys_types::cp_subsys_get
subroutine, public cp_subsys_get(subsys, ref_count, atomic_kinds, atomic_kind_set, particles, particle_set, local_particles, molecules, molecule_set, molecule_kinds, molecule_kind_set, local_molecules, para_env, colvar_p, shell_particles, core_particles, gci, multipoles, natom, nparticle, ncore, nshell, nkind, atprop, virial, results, cell)
returns information about various attributes of the given subsys
Definition cp_subsys_types.F:345
distribution_1d_types
stores a lists of integer that are local to a processor. The idea is that these integers represent ob...
Definition distribution_1d_types.F:24
input_section_types
objects that represent the structure of input sections and the data contained in an input section
Definition input_section_types.F:15
input_section_types::section_vals_retain
subroutine, public section_vals_retain(section_vals)
retains the given section values (see doc/ReferenceCounting.html)
Definition input_section_types.F:631
input_section_types::section_vals_release
recursive subroutine, public section_vals_release(section_vals)
releases the given object
Definition input_section_types.F:646
kinds
Defines the basic variable types.
Definition kinds.F:23
kinds::dp
integer, parameter, public dp
Definition kinds.F:34
kinds::default_string_length
integer, parameter, public default_string_length
Definition kinds.F:57
kinds::default_path_length
integer, parameter, public default_path_length
Definition kinds.F:58
message_passing
Interface to the message passing library MPI.
Definition message_passing.F:23
message_passing::mp_para_env_release
subroutine, public mp_para_env_release(para_env)
releases the para object (to be called when you don't want anymore the shared copy of this object)
Definition message_passing.F:2027
mixed_cdft_types
Types for mixed CDFT calculations.
Definition mixed_cdft_types.F:14
mixed_cdft_types::mixed_cdft_type_release
subroutine, public mixed_cdft_type_release(cdft_control)
releases the given mixed_cdft_type
Definition mixed_cdft_types.F:308
mixed_energy_types
Definition mixed_energy_types.F:12
mixed_energy_types::deallocate_mixed_energy
subroutine, public deallocate_mixed_energy(mixed_energy)
Deallocate a mixed energy data structure.
Definition mixed_energy_types.F:66
mixed_environment_types
Definition mixed_environment_types.F:11
mixed_environment_types::mixed_env_release
subroutine, public mixed_env_release(mixed_env)
releases the given mixed_env (see doc/ReferenceCounting.html)
Definition mixed_environment_types.F:296
mixed_environment_types::get_mixed_env
subroutine, public get_mixed_env(mixed_env, atomic_kind_set, particle_set, local_particles, local_molecules, molecule_kind_set, molecule_set, cell, cell_ref, mixed_energy, para_env, sub_para_env, subsys, input, results, cdft_control)
Get the MIXED environment.
Definition mixed_environment_types.F:130
mixed_environment_types::set_mixed_env
subroutine, public set_mixed_env(mixed_env, atomic_kind_set, particle_set, local_particles, local_molecules, molecule_kind_set, molecule_set, cell_ref, mixed_energy, subsys, input, sub_para_env, cdft_control)
Set the MIXED environment.
Definition mixed_environment_types.F:198
mixed_environment_types::mixed_env_create
subroutine, public mixed_env_create(mixed_env, para_env)
allocates and intitializes a mixed_env
Definition mixed_environment_types.F:283
molecule_kind_list_types
represent a simple array based list of the given type
Definition molecule_kind_list_types.F:15
molecule_kind_list_types::molecule_kind_list_create
subroutine, public molecule_kind_list_create(list, els_ptr, owns_els, n_els)
creates a list
Definition molecule_kind_list_types.F:79
molecule_kind_list_types::molecule_kind_list_release
subroutine, public molecule_kind_list_release(list)
releases a list (see doc/ReferenceCounting.html)
Definition molecule_kind_list_types.F:128
molecule_kind_types
Define the molecule kind structure types and the corresponding functionality.
Definition molecule_kind_types.F:16
molecule_list_types
represent a simple array based list of the given type
Definition molecule_list_types.F:15
molecule_list_types::molecule_list_create
subroutine, public molecule_list_create(list, els_ptr, owns_els, n_els)
creates a list
Definition molecule_list_types.F:80
molecule_list_types::molecule_list_release
subroutine, public molecule_list_release(list)
releases a list (see doc/ReferenceCounting.html)
Definition molecule_list_types.F:129
molecule_types
Define the data structure for the molecule information.
Definition molecule_types.F:16
particle_list_types
represent a simple array based list of the given type
Definition particle_list_types.F:15
particle_list_types::particle_list_create
subroutine, public particle_list_create(list, els_ptr, owns_els, n_els)
creates a list
Definition particle_list_types.F:80
particle_list_types::particle_list_release
subroutine, public particle_list_release(list)
releases a list (see doc/ReferenceCounting.html)
Definition particle_list_types.F:129
particle_types
Define the data structure for the particle information.
Definition particle_types.F:19
qs_rho_types
superstucture that hold various representations of the density and keeps track of which ones are vali...
Definition qs_rho_types.F:18
atomic_kind_list_types::atomic_kind_list_type
represent a list of objects
Definition atomic_kind_list_types.F:45
atomic_kind_types::atomic_kind_type
Provides all information about an atomic kind.
Definition atomic_kind_types.F:45
cell_types::cell_type
Type defining parameters related to the simulation cell.
Definition cell_types.F:55
cp_log_handling::cp_logger_p_type
Definition cp_log_handling.F:152
cp_result_types::cp_result_type
contains arbitrary information which need to be stored
Definition cp_result_types.F:73
cp_subsys_types::cp_subsys_type
represents a system: atoms, molecules, their pos,vel,...
Definition cp_subsys_types.F:89
distribution_1d_types::distribution_1d_type
structure to store local (to a processor) ordered lists of integers.
Definition distribution_1d_types.F:62
input_section_types::section_vals_type
stores the values of a section
Definition input_section_types.F:126
message_passing::mp_para_env_p_type
represent a pointer to a para env (to build arrays)
Definition message_passing.F:780
message_passing::mp_para_env_type
stores all the informations relevant to an mpi environment
Definition message_passing.F:763
mixed_cdft_types::mixed_cdft_type
Main mixed CDFT control type.
Definition mixed_cdft_types.F:204
mixed_energy_types::mixed_energy_type
Definition mixed_energy_types.F:22
mixed_environment_types::mixed_environment_type
Definition mixed_environment_types.F:64
molecule_kind_list_types::molecule_kind_list_type
represent a list of objects
Definition molecule_kind_list_types.F:45
molecule_kind_types::molecule_kind_type
Definition molecule_kind_types.F:161
molecule_list_types::molecule_list_type
represent a list of objects
Definition molecule_list_types.F:46
molecule_types::molecule_type
Definition molecule_types.F:110
particle_list_types::particle_list_type
represent a list of objects
Definition particle_list_types.F:46
particle_types::particle_type
Definition particle_types.F:35
qs_rho_types::qs_rho_p_type
Definition qs_rho_types.F:87