Line data Source code
1 : !!****m*ABINIT/m_lwf_mover
2 : !! NAME
3 : !! m_lwf_mover
4 : !!
5 : !! FUNCTION
6 : !! This module contains the lwf mover, which controls how the lattice wannier function move.
7 : !!
8 : !!
9 : !! Datatypes:
10 : !!
11 : !! * lwf_mover_t
12 : !!
13 : !! Subroutines:
14 : !!
15 : !! * lwf_mover_t_initialize
16 : !! * lwf_mover_t_run_one_step
17 : !! * lwf_mover_t_run_time
18 : !! * TODO: update this when F2003 documentation format decided.
19 : !!
20 : !!
21 : !! COPYRIGHT
22 : !! Copyright (C) 2001-2026 ABINIT group (hexu)
23 : !! This file is distributed under the terms of the
24 : !! GNU General Public License, see ~abinit/COPYING
25 : !! or http://www.gnu.org/copyleft/gpl.txt .
26 : !! For the initials of contributors, see ~abinit/doc/developers/contributors.txt .
27 : !!
28 : !! SOURCE
29 :
30 :
31 : #if defined HAVE_CONFIG_H
32 : #include "config.h"
33 : #endif
34 : #include "abi_common.h"
35 : module m_lwf_mover
36 : use defs_basis
37 : use m_errors
38 : use m_abicore
39 : use m_xmpi
40 : use m_nctk
41 : use netcdf
42 : use m_mpi_scheduler, only: mpi_scheduler_t, init_mpi_info
43 : use m_multibinit_dataset, only: multibinit_dtset_type
44 : use m_random_xoroshiro128plus, only: set_seed, rand_normal_array, rng_t
45 : use m_abstract_potential, only: abstract_potential_t
46 : use m_abstract_mover, only: abstract_mover_t
47 : use m_hashtable_strval, only: hash_table_t
48 : use m_multibinit_cell, only: mbcell_t, mbsupercell_t
49 : use m_lwf_hist, only: lwf_hist_t
50 : use m_lwf_observables, only: lwf_observables_t
51 : use m_lwf_ncfile, only: lwf_ncfile_t
52 :
53 :
54 : implicit none
55 : private
56 : !!***
57 :
58 : type, public, extends(abstract_mover_t):: lwf_mover_t
59 : type(multibinit_dtset_type), pointer:: params
60 : real(dp) :: energy
61 : integer:: nlwf
62 : real(dp), allocatable:: lwf(:), lwf_force(:), vcart(:)
63 : type(lwf_ncfile_t):: ncfile
64 : type(lwf_hist_t):: hist
65 : real(dp), pointer:: lwf_masses(:) => null()
66 : real(dp):: Ek = 0.0_dp ! kinetic energy
67 : real(dp):: T_ob = 0.0_dp ! observed temperature
68 :
69 : ! constraints
70 : integer:: n_fixed_lwf = 0
71 : integer, allocatable:: fixed_lwf_ids(:)
72 : real(dp), allocatable:: fixed_lwf_values(:)
73 :
74 : contains
75 : procedure:: initialize
76 : procedure:: finalize
77 : procedure:: set_temperature
78 : procedure:: set_params
79 : procedure:: set_initial_state
80 : procedure:: get_T_and_Ek
81 : procedure:: run_one_step
82 : procedure:: run_time
83 : procedure:: run_varT
84 : procedure:: prepare_ncfile
85 : procedure:: set_ncfile_name
86 : procedure:: read_hist_lwf_state
87 : procedure:: read_lwf_constraints
88 : procedure:: apply_fixed_lwf
89 : procedure:: apply_constraints
90 : end type lwf_mover_t
91 :
92 : contains
93 :
94 1 : subroutine initialize(self, params, supercell, rng)
95 : class(lwf_mover_t), intent(inout):: self
96 : type(multibinit_dtset_type), target, intent(in):: params
97 : type(mbsupercell_t), target, intent(in):: supercell
98 : type(rng_t), target, intent(in):: rng
99 1 : self%params=>params
100 1 : self%supercell=>supercell
101 1 : self%label="LWF Mover"
102 1 : call self%set_params(params)
103 1 : call self%set_rng(rng)
104 1 : self%nlwf = self%supercell%lwf%nlwf
105 3 : ABI_MALLOC(self%lwf, (self%nlwf))
106 3 : ABI_MALLOC(self%vcart, (self%nlwf))
107 3 : ABI_MALLOC(self%lwf_force, (self%nlwf))
108 1025 : self%lwf(:) = 0.0_dp
109 1025 : self%lwf_force(:) = 0.0_dp
110 1025 : self%vcart(:) = 0.0_dp
111 1 : self%energy = 0.0_dp
112 1 : self%lwf_masses=>self%supercell%lwf%lwf_masses
113 1 : call self%hist%initialize(nlwf = self%nlwf, mxhist = 1)
114 :
115 : !call self%read_lwf_constraints()
116 1 : end subroutine initialize
117 :
118 :
119 1 : subroutine finalize(self)
120 : class(lwf_mover_t), intent(inout):: self
121 1 : nullify(self%supercell)
122 1 : nullify(self%params)
123 1 : ABI_SFREE(self%lwf)
124 1 : ABI_SFREE(self%vcart)
125 1 : ABI_SFREE(self%lwf_force)
126 1 : nullify(self%lwf_masses)
127 1 : call self%hist%finalize()
128 :
129 : ! constraints
130 1 : self%n_fixed_lwf = 0
131 1 : ABI_SFREE(self%fixed_lwf_ids)
132 1 : ABI_SFREE(self%fixed_lwf_values)
133 :
134 : !call self%ncfile%finalize()
135 1 : end subroutine finalize
136 :
137 1 : subroutine set_params(self, params)
138 : class(lwf_mover_t), intent(inout):: self
139 : type(multibinit_dtset_type):: params
140 1 : self%dt = params%lwf_dt
141 1 : self%total_time = params%lwf_ntime*params%lwf_dt
142 1 : self%temperature = params%lwf_temperature
143 1 : end subroutine set_params
144 :
145 7 : subroutine set_temperature(self, temperature)
146 : class(lwf_mover_t), intent(inout):: self
147 : real(dp), intent(in):: temperature
148 7 : self%temperature = temperature
149 7 : end subroutine set_temperature
150 :
151 : !-------------------------------------------------------------------!
152 : !get_temperature_and_kinetic_energy
153 : ! Ek = 1/2 \sum m_i vi^2
154 : ! T = 2 Ek/nlwf (in a.u.)
155 : !-------------------------------------------------------------------!
156 21000 : subroutine get_T_and_Ek(self)
157 : class(lwf_mover_t), intent(inout):: self
158 21525000 : self%Ek = 0.5*sum(self%lwf_masses * (self%vcart*self%vcart))
159 21000 : self%T_ob = 2.0*self%Ek/self%nlwf
160 21000 : end subroutine get_T_and_Ek
161 :
162 :
163 :
164 0 : subroutine run_one_step(self, effpot, displacement, strain, spin, lwf, energy_table)
165 : class(lwf_mover_t), intent(inout):: self
166 : real(dp), optional, intent(inout):: displacement(:,:), strain(:,:), spin(:,:), lwf(:)
167 : class(abstract_potential_t), intent(inout):: effpot
168 : type(hash_table_t), optional, intent(inout):: energy_table
169 0 : ABI_UNUSED_A(self)
170 0 : ABI_UNUSED_A(effpot)
171 0 : ABI_UNUSED_A(displacement)
172 0 : ABI_UNUSED_A(strain)
173 0 : ABI_UNUSED_A(spin)
174 0 : ABI_UNUSED_A(lwf)
175 0 : ABI_UNUSED_A(energy_table)
176 0 : ABI_ERROR("run_one_step not implemented for this mover")
177 0 : end subroutine run_one_step
178 :
179 : !-------------------------------------------------------------------!
180 : ! run from begining to end.
181 : !-------------------------------------------------------------------!
182 7 : subroutine run_time(self, effpot, displacement, strain, spin, lwf, energy_table)
183 : ! run one step. (For MC also?)
184 : class(lwf_mover_t), intent(inout):: self
185 : ! array of effective potentials so that there can be multiple of them.
186 : class(abstract_potential_t), intent(inout):: effpot
187 : real(dp), optional, intent(inout):: displacement(:,:), strain(:,:), spin(:,:), lwf(:)
188 : type(hash_table_t), optional, intent(inout):: energy_table
189 : integer:: i, nstep
190 : character(len = 90):: msg
191 7 : if(present(lwf)) then
192 0 : ABI_ERROR("lwf should not be input for lwf mover")
193 : end if
194 7 : ABI_UNUSED_A(displacement)
195 7 : ABI_UNUSED_A(strain)
196 7 : ABI_UNUSED_A(spin)
197 7 : ABI_UNUSED_A(energy_table)
198 :
199 :
200 7 : msg = repeat("=", 90)
201 7 : call wrtout(std_out, msg, 'COLL')
202 7 : call wrtout(ab_out, msg, 'COLL')
203 7 : write(msg, '(A22)') "LWF dynamic steps:"
204 7 : call wrtout(std_out, msg, 'COLL')
205 7 : call wrtout(ab_out, msg, 'COLL')
206 7 : msg = repeat("=", 90)
207 7 : call wrtout(std_out, msg, 'COLL')
208 7 : call wrtout(ab_out, msg, 'COLL')
209 :
210 : write(msg, "(A13, 4X, A15, 4X, A15, 4X, A15, 4X, A15)") &
211 7 : & "Iteration", "temperature(K)", "Ekin(Ha/uc)", &
212 14 : & "Epot(Ha/uc)", "ETOT(Ha/uc)"
213 7 : call wrtout(std_out, msg, 'COLL')
214 7 : call wrtout(ab_out, msg, 'COLL')
215 :
216 :
217 7 : call self%apply_constraints(self%lwf)
218 :
219 7 : nstep = floor(self%total_time/self%dt)
220 21007 : do i = 1, nstep
221 : !print *, "Step: ", i, " T: ", self%T_ob*Ha_K, " Ek:", self%Ek, "Ev", self%energy, "Etot", self%energy+self%Ek
222 42000 : call self%run_one_step(effpot = effpot, spin = spin, lwf = self%lwf, energy_table = energy_table)
223 :
224 :
225 :
226 :
227 21000 : call self%hist%set_hist(lwf = self%lwf, vcart = self%vcart, energy = self%energy )
228 21007 : if(modulo(i, self%params%lwf_nctime)==0) then
229 210 : call self%ncfile%write_one_step(self%hist)
230 : !print *, "Step: ", i, "Ev", self%energy, "Etot"
231 :
232 210 : write(msg, "(I13, 4X, F15.5, 4X, ES15.5, 4X, ES15.5, 4X, ES15.5)") i, self%T_ob*Ha_K, &
233 210 : & self%Ek/self%supercell%ncell, self%energy/self%supercell%ncell, &
234 420 : & (self%Ek+self%energy)/self%supercell%ncell
235 210 : call wrtout(std_out, msg, 'COLL')
236 210 : call wrtout(ab_out, msg, 'COLL')
237 : !write(msg, "(I13, 4X, ES15.5)") i, self%energy/self%supercell%ncell
238 : ! & (self%Ek+self%energy)/self%supercell%ncell
239 :
240 : end if
241 : !TODO: output, observables
242 : end do
243 :
244 7 : msg = repeat("=", 90)
245 7 : call wrtout(std_out, msg, 'COLL')
246 7 : call wrtout(ab_out, msg, 'COLL')
247 :
248 7 : end subroutine run_time
249 :
250 :
251 : !----------------------------------------------------------------------
252 : !> @brief set initial state.
253 : !>
254 : !> @param[in] mode: a integer to define the kind of initial state.
255 : !----------------------------------------------------------------------
256 2 : subroutine set_initial_state(self, mode)
257 : ! set initial positions, spin, etc
258 : class(lwf_mover_t), intent(inout):: self
259 : integer, optional, intent(in):: mode
260 : integer:: i
261 : real(dp):: tmp
262 : real(dp):: kpoint(3)
263 :
264 2050 : self%lwf(:)=0.0
265 2 : select case(mode)
266 : case(0) ! using k-vector
267 : ! TODO make it more generic
268 0 : kpoint(:)=[0.5_dp, 0.0_dp, 0.5_dp]
269 0 : do i = 1, self%supercell%ncell
270 : tmp = 0.2*real(exp(cmplx(0.0, two_pi, kind = dp) * &
271 0 : &dot_product(kpoint, self%supercell%supercell_maker%rvecs(:, i))), kind = dp)
272 0 : self%lwf(i*2-1)=tmp
273 0 : self%lwf(i*2)=tmp
274 : enddo
275 : ! random number between-0.1 0.1
276 : case(1)
277 2 : call self%rng%rand_unif_01_array(self%lwf, self%nlwf)
278 2050 : self%lwf=(self%lwf-0.5)*0.1
279 : ! zero
280 : case(2)
281 0 : self%lwf(:)=0.0
282 : ! read from lwf hist file
283 : case(4)
284 2 : call self%read_hist_lwf_state(self%params%lwf_init_hist_fname)
285 : end select
286 :
287 2 : call self%rng%rand_normal_array(self%vcart(:), self%nlwf)
288 2050 : do i = 1, self%nlwf
289 2050 : self%vcart(i) = self%vcart(i) *sqrt(self%temperature/self%lwf_masses(i))
290 : end do
291 :
292 2 : call self%hist%set_hist(lwf = self%lwf, vcart = self%vcart, energy = 0.0_dp)
293 :
294 2 : end subroutine set_initial_state
295 :
296 : !-------------------------------------------------------------------!
297 : ! read_hist_lwf_state
298 : ! read the last step of spin from hist file.
299 : !-------------------------------------------------------------------!
300 0 : subroutine read_hist_lwf_state(self, fname)
301 : class(lwf_mover_t), intent(inout):: self
302 : character(len=*), intent(in):: fname
303 : integer:: ierr, ncid, varid
304 : integer:: nlwf, ntime
305 : character(len = 118):: msg
306 : ! open file
307 :
308 0 : ierr = nf90_open(trim(fname), NF90_NOWRITE, ncid)
309 0 : NCF_CHECK_MSG(ierr, "The lwf_init_state is set to 4. But opening netcdf file "//trim(fname)//" Failed. ")
310 :
311 : ! sanity check. If the hist file is consistent with the current calculation
312 0 : ierr = nctk_get_dim(ncid, "nlwf" , nlwf)
313 0 : NCF_CHECK_MSG(ierr, "when reading nlwf")
314 :
315 : msg="The number of lwfs in histfile is not equal & & to the present calculation." // &
316 0 : & " Please check if the file is consistent."
317 0 : if (nlwf /= self%nlwf) then
318 0 : ABI_ERROR(msg)
319 : end if
320 :
321 0 : ierr = nctk_get_dim(ncid, "ntime", ntime)
322 0 : NCF_CHECK_MSG(ierr, "when reading ntime")
323 :
324 : ! read lwf and set as initial state
325 0 : ierr = nf90_inq_varid(ncid, "lwf", varid)
326 0 : NCF_CHECK_MSG(ierr, "when reading lwf.")
327 :
328 : ierr = nf90_get_var(ncid = ncid, varid = varid, values = self%lwf(:), &
329 0 : & start=(/ 1, ntime/), count=(/nlwf, 1/))
330 0 : NCF_CHECK_MSG(ierr, "when reading lwf from lwf hist file")
331 :
332 : ! close file
333 0 : ierr = nf90_close(ncid)
334 0 : NCF_CHECK_MSG(ierr, "Close netcdf file")
335 :
336 0 : end subroutine read_hist_lwf_state
337 :
338 :
339 : !-------------------------------------------------------------------!
340 : ! read_lwf_constrain
341 : ! read the constrains from file
342 : !-------------------------------------------------------------------!
343 1 : subroutine read_lwf_constraints(self, fname)
344 : class(lwf_mover_t), intent(inout):: self
345 : character(len=*), intent(in):: fname
346 : integer:: ierr, ncid, id_id, value_id
347 : ! open file
348 1 : if (self%params%lwf_constraint .eq. 0) then
349 1 : self%n_fixed_lwf = 0
350 1 : ABI_MALLOC(self%fixed_lwf_ids, (self%n_fixed_lwf))
351 1 : ABI_MALLOC(self%fixed_lwf_values, (self%n_fixed_lwf))
352 : else
353 :
354 0 : ierr = nf90_open(trim(fname), NF90_NOWRITE, ncid)
355 0 : NCF_CHECK_MSG(ierr, "Trying to read constrain from netcdf file "//trim(fname)//" Failed. ")
356 :
357 : ! sanity check. If the hist file is consistent with the current calculation
358 0 : ierr = nctk_get_dim(ncid, "n_fixed_lwf" , self%n_fixed_lwf)
359 0 : NCF_CHECK_MSG(ierr, "when reading n_fixed_lwf")
360 :
361 0 : if (self%n_fixed_lwf .ne. 0) then
362 0 : ABI_MALLOC(self%fixed_lwf_ids, (self%n_fixed_lwf))
363 0 : ABI_MALLOC(self%fixed_lwf_values, (self%n_fixed_lwf))
364 :
365 :
366 : ! read fixed lwf ids and values
367 0 : ierr = nf90_inq_varid(ncid, "fixed_lwf_ids", id_id)
368 0 : NCF_CHECK_MSG(ierr, "when reading fixed_lwf_ids.")
369 :
370 : ierr = nf90_get_var(ncid = ncid, varid = id_id, values = self%fixed_lwf_ids, &
371 0 : & start=[1], count=[self%n_fixed_lwf])
372 0 : NCF_CHECK_MSG(ierr, "when reading fixed_lwf_ids from file "//trim(fname)//". " )
373 :
374 0 : ierr = nf90_inq_varid(ncid, "fixed_lwf_values", value_id)
375 0 : NCF_CHECK_MSG(ierr, "when reading fixed_lwf_values.")
376 :
377 : ierr = nf90_get_var(ncid = ncid, varid = value_id, values = self%fixed_lwf_values, &
378 0 : & start=[1], count=[self%n_fixed_lwf])
379 0 : NCF_CHECK_MSG(ierr, "when reading fixed_lwf_values from file "//trim(fname)//". " )
380 : endif
381 :
382 :
383 : ! close file
384 0 : ierr = nf90_close(ncid)
385 0 : NCF_CHECK_MSG(ierr, "Close netcdf file")
386 : endif
387 :
388 1 : end subroutine read_lwf_constraints
389 :
390 :
391 :
392 7 : subroutine prepare_ncfile(self, params, fname)
393 : class(lwf_mover_t), intent(inout):: self
394 : type(multibinit_dtset_type):: params
395 : character(len=*), intent(in):: fname
396 : integer:: master, my_rank, comm, nproc
397 : logical:: iam_master
398 7 : ABI_UNUSED_A(params)
399 7 : call init_mpi_info(master, iam_master, my_rank, comm, nproc)
400 7 : if(iam_master) then
401 7 : call self%ncfile%initialize(fname, 1)
402 7 : call self%ncfile%write_cell(self%supercell)
403 7 : call self%ncfile%def_lwf_var(self%hist)
404 : end if
405 7 : end subroutine prepare_ncfile
406 :
407 : !-------------------------------------------------------------------!
408 : !set_ncfile_name :
409 : !-------------------------------------------------------------------!
410 0 : subroutine set_ncfile_name(self, params, fname)
411 : class(lwf_mover_t), intent(inout):: self
412 : type(multibinit_dtset_type):: params
413 : character(len = fnlen), intent(in):: fname
414 : integer:: master, my_rank, comm, nproc
415 : logical:: iam_master
416 0 : call init_mpi_info(master, iam_master, my_rank, comm, nproc)
417 0 : if (iam_master) then
418 0 : call self%prepare_ncfile(params, trim(fname)//'_lwfhist.nc')
419 0 : call self%ncfile%write_one_step(self%hist)
420 : endif
421 0 : end subroutine set_ncfile_name
422 :
423 :
424 :
425 : !!****f*m_lwf_mover/run_varT
426 : !!
427 : !! NAME
428 : !! run_varT
429 : !!
430 : !! FUNCTION
431 : !! run M vs Temperature
432 : !!
433 : !! INPUTS
434 : !! pot: potential
435 : !! T_start, Tend, T_nstep
436 : !u
437 : !! OUTPUT
438 : !!
439 : !! SOURCE
440 1 : subroutine run_varT(self, pot, ncfile_prefix, displacement, strain, spin, lwf, energy_table)
441 : class(lwf_mover_t), intent(inout):: self
442 : class(abstract_potential_t), intent(inout):: pot
443 : real(dp), optional, intent(inout):: displacement(:,:), strain(:,:), lwf(:), spin(:,:)
444 : character(fnlen), intent(inout):: ncfile_prefix
445 : type(hash_table_t), optional, intent(inout):: energy_table
446 : real(dp):: T_start, T_end
447 : integer:: T_nstep
448 : !type(lwf_ncfile_t):: lwf_ncfile
449 : character(len = 4):: post_fname
450 : real(dp):: T, T_step
451 : integer:: i
452 : !integer:: Tfile, iostat
453 : character(len = 90):: msg
454 : !character(len = 4200):: Tmsg ! to write to var T file
455 : !character(len = 150):: iomsg
456 : !character(fnlen):: Tfname ! file name for output various T calculation
457 : !real(dp), allocatable:: Tlist(:), chi_list(:), Cv_list(:), binderU4_list(:)
458 : !real(dp), allocatable:: Mst_sub_norm_list(:, :)
459 : !real(dp), allocatable :: Mst_norm_total_list(:)
460 :
461 : integer:: master, my_rank, comm, nproc, ierr
462 : logical:: iam_master
463 1 : call init_mpi_info(master, iam_master, my_rank, comm, nproc)
464 :
465 1 : if (iam_master) then
466 1 : T_start = self%params%lwf_temperature_start
467 1 : T_end = self%params%lwf_temperature_end
468 1 : T_nstep = self%params%lwf_temperature_nstep
469 : !Tfile = get_unit()
470 : !Tfname = trim(ncfile_prefix)//'.varT'
471 : !iostat = open_file(file = Tfname, unit = Tfile, iomsg = iomsg )
472 1 : if (T_nstep <= 1) then
473 : T_step = 0.0
474 : else
475 1 : T_step=(T_end-T_start)/(T_nstep-1)
476 : endif
477 : write(msg, "(A52, ES13.5, A11, ES13.5, A1)") &
478 1 : & "Starting temperature dependent calculations. T from ", &
479 2 : & T_start*Ha_K, "K to ", T_end*Ha_K, " K."
480 1 : call wrtout(std_out, msg, "COLL")
481 1 : call wrtout(ab_out, msg, "COLL")
482 : end if
483 :
484 1 : call xmpi_bcast(T_nstep, 0, comm, ierr)
485 8 : do i = 1, T_nstep
486 7 : if(iam_master) then
487 7 : T = T_start+(i-1)*T_step
488 7 : msg = repeat("=", 79)
489 7 : call wrtout(std_out, msg, "COLL")
490 7 : call wrtout(ab_out, msg, "COLL")
491 :
492 7 : write(msg, "(A13, 5X, ES13.5, A3)") "Temperature: ", T*Ha_K, " K."
493 7 : call wrtout(std_out, msg, "COLL")
494 7 : call wrtout(ab_out, msg, "COLL")
495 :
496 7 : call self%hist%reset(array_to_zero=.False.)
497 : ! set temperature
498 : ! TODO make this into a subroutine set_params
499 : endif
500 7 : call self%set_temperature(temperature = T)
501 7 : if(iam_master) then
502 7 : if(i == 1) then
503 1 : call self%set_initial_state(mode = self%params%lwf_init_state)
504 : endif
505 7 : call self%apply_constraints(self%lwf)
506 :
507 7 : write(post_fname, "(I4.4)") i
508 : call self%prepare_ncfile( self%params, &
509 7 : & trim(ncfile_prefix)//'_T'//post_fname//'_lwfhist.nc')
510 7 : call self%ncfile%write_one_step(self%hist)
511 : endif
512 :
513 : call self%run_time(pot, displacement = displacement, strain = strain, spin = spin, &
514 35 : & lwf = lwf, energy_table = energy_table)
515 :
516 8 : if(iam_master) then
517 7 : call self%ncfile%finalize()
518 : endif
519 : end do
520 :
521 1 : end subroutine run_varT
522 : !!***
523 :
524 :
525 42014 : subroutine apply_fixed_lwf(self, lwf)
526 : class(lwf_mover_t), intent(inout):: self
527 : real(dp), intent(inout):: lwf(:)
528 : integer:: i
529 42014 : do i = 1, self%n_fixed_lwf
530 0 : self%vcart(self%fixed_lwf_ids(i))=0.0_dp
531 42014 : lwf(self%fixed_lwf_ids(i))=self%fixed_lwf_values(i)
532 : end do
533 42014 : end subroutine apply_fixed_lwf
534 :
535 42014 : subroutine apply_constraints(self, lwf)
536 : class(lwf_mover_t), intent(inout):: self
537 : real(dp), intent(inout):: lwf(:)
538 42014 : call self%apply_fixed_lwf(lwf)
539 42014 : end subroutine apply_constraints
540 :
541 3 : end module m_lwf_mover
542 :
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