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Searched refs:do_force (Results 1 – 25 of 97) sorted by relevance

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/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dlri_integrals.F414 LOGICAL :: do_force local
443 do_force = lrii%calc_force_pair
445 do_force = .FALSE.
449 do_force, lri_env%debug, lrii%dmax_ab)
452 do_force, lri_env%debug, lrii%dmax_oo)
455 do_force, lri_env%debug, lrii%dmax_aba)
495 LOGICAL :: do_force local
527 do_force = lrii%calc_force_pair
529 do_force = .FALSE.
542 do_force)
[all …]
H A Dqs_o3c_methods.F80 LOGICAL :: do_force, found, trans local
98 do_force = .FALSE.
99 IF (PRESENT(calculate_forces)) do_force = calculate_forces
177 IF (do_force) THEN
221 IF (do_force) THEN
243 IF (do_force) THEN
261 IF (do_force) THEN
267 IF (do_force) THEN
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dlri_integrals.F414 LOGICAL :: do_force local
443 do_force = lrii%calc_force_pair
445 do_force = .FALSE.
449 do_force, lri_env%debug, lrii%dmax_ab)
452 do_force, lri_env%debug, lrii%dmax_oo)
455 do_force, lri_env%debug, lrii%dmax_aba)
495 LOGICAL :: do_force local
527 do_force = lrii%calc_force_pair
529 do_force = .FALSE.
542 do_force)
[all …]
H A Dqs_o3c_methods.F61 LOGICAL :: do_force, found, trans local
79 do_force = .FALSE.
80 IF (PRESENT(calculate_forces)) do_force = calculate_forces
158 IF (do_force) THEN
202 IF (do_force) THEN
224 IF (do_force) THEN
242 IF (do_force) THEN
248 IF (do_force) THEN
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/dftgrad/
H A Ddftg_cdfit.F114 logical do_force, do_cpks_r, do_hess
128 do_force = calc_type .eq. 1
131 if (.not. (do_force .or. do_cpks_r .or. do_hess)) then
255 if (do_force.or.do_hess) then
291 if (do_force.or.do_cpks_r) then
303 if (do_force.or.do_cpks_r) then
319 if (do_force) then
423 if (do_force.or.do_cpks_r) then
434 if (do_force) then
H A Ddftg_grad2.F96 logical do_force, do_cpks_r, do_hess
101 do_force = calc_type .eq. 1
104 if (.not. (do_force .or. do_cpks_r .or. do_hess)) then
279 if (do_force.or.do_cpks_r)
292 if (do_force .or. do_hess)
318 if (do_force) then
H A Ddftg_griddo.F11 , force, hess, g_rhs, do_force,
49 logical do_force, do_hess, do_cpks_r
134 & do_force,do_hess,do_cpks_r
220 L do_force,do_hess,ldew,gradchi,hesschi,der3chi,oactive,
H A Ddftg_gridv0a.F10 , force, hess, g_rhs, do_force,
55 logical do_force, do_hess, do_cpks_r
166 & do_force,do_hess,do_cpks_r
283 , force, hess, g_rhs, do_force,
H A Ddftg_gridv0.F105 logical do_force, do_hess, do_cpks_r
140 do_force = calc_type .eq. 1
147 if (.not. (do_force .or. do_hess .or. do_cpks_r
569 & nbf_ao,ipol,do_force,.true.)
592 & force, hess, g_rhs, do_force, do_hess,
626 & force, hess, g_rhs, do_force, do_hess,
H A Ddftg_gridv0b.F11 & force, hess, g_rhs, do_force,
60 logical do_force, do_hess, do_cpks_r
407 if (do_force) then
733 if (do_force.and.ldew)then
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/dftgrad/
H A Ddftg_cdfit.F114 logical do_force, do_cpks_r, do_hess
126 do_force = calc_type .eq. 1
129 if (.not. (do_force .or. do_cpks_r .or. do_hess)) then
253 if (do_force.or.do_hess) then
289 if (do_force.or.do_cpks_r) then
301 if (do_force.or.do_cpks_r) then
317 if (do_force) then
421 if (do_force.or.do_cpks_r) then
432 if (do_force) then
H A Ddftg_grad2.F96 logical do_force, do_cpks_r, do_hess
101 do_force = calc_type .eq. 1
104 if (.not. (do_force .or. do_cpks_r .or. do_hess)) then
279 if (do_force.or.do_cpks_r)
292 if (do_force .or. do_hess)
318 if (do_force) then
H A Ddftg_griddo.F11 , force, hess, g_rhs, do_force,
49 logical do_force, do_hess, do_cpks_r
134 & do_force,do_hess,do_cpks_r
220 L do_force,do_hess,ldew,gradchi,hesschi,der3chi,oactive,
H A Ddftg_gridv0a.F10 , force, hess, g_rhs, do_force,
55 logical do_force, do_hess, do_cpks_r
166 & do_force,do_hess,do_cpks_r
283 , force, hess, g_rhs, do_force,
H A Ddftg_gridv0.F105 logical do_force, do_hess, do_cpks_r
140 do_force = calc_type .eq. 1
147 if (.not. (do_force .or. do_hess .or. do_cpks_r
569 & nbf_ao,ipol,do_force,.true.)
592 & force, hess, g_rhs, do_force, do_hess,
626 & force, hess, g_rhs, do_force, do_hess,
H A Ddftg_gridv0b.F11 & force, hess, g_rhs, do_force,
60 logical do_force, do_hess, do_cpks_r
404 if (do_force) then
730 if (do_force.and.ldew)then
/dports/biology/wise/wise2.4.1/src/HMMer2/
H A Dhmmconvert.c79 int do_force; /* TRUE to allow overwriting */ in main() local
97 do_force = FALSE; in main()
105 else if (strcmp(optname, "-F") == 0) { do_force = TRUE; } in main()
152 if (! do_force && FileExists(outfile)) in main()
/dports/multimedia/dvb-apps/dvb-apps-3d43b280298c/util/dvbdate/
H A Ddvbdate.c57 int do_force; variable
130 do_force = 1; in do_options()
330 do_force = 0; in main()
386 if (do_force) { in main()
/dports/x11-wm/fvwm2/fvwm-2.6.9/fvwm/
H A Dfocus.c59 unsigned do_force : 1; member
398 if (!args->do_force && fw == sf) in set_focus_to_fwin()
655 sf_args.do_force = 0; in __activate_window_by_command()
728 sf_args.do_force = 0; in __activate_window_by_command()
954 sf_args.do_force = 1; in _SetFocusWindow()
978 sf_args.do_force = 0; in _ReturnFocusWindow()
994 sf_args.do_force = 0; in _DeleteFocus()
1010 sf_args.do_force = 1; in _ForceDeleteFocus()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/grid/
H A Ddftg_loop.F25 L do_force,do_hess,ldew,gradchi,hesschi,der3chi,oactive,
97 logical do_force,do_hess,ldew,gradchi,hesschi,der3chi,
209 , force, hess, g_rhs, do_force,
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/grid/
H A Ddftg_loop.F25 L do_force,do_hess,ldew,gradchi,hesschi,der3chi,oactive,
97 logical do_force,do_hess,ldew,gradchi,hesschi,der3chi,
209 , force, hess, g_rhs, do_force,
/dports/biology/infernal/infernal-1.1.3/rmark/
H A Drmark-master.pl60 $do_force = 0;
73 if (defined $opt_F) { $do_force = 1; }
165 if ($do_force && (-e $resultdir)) {
/dports/x11-wm/fvwm3/fvwm3-1.0.4/fvwm/
H A Dfocus.c60 unsigned do_force : 1; member
404 if (!args->do_force && fw == sf) in set_focus_to_fwin()
667 sf_args.do_force = 0; in __activate_window_by_command()
741 sf_args.do_force = 0; in __activate_window_by_command()
967 sf_args.do_force = 1; in _SetFocusWindow()
991 sf_args.do_force = 0; in _ReturnFocusWindow()
1007 sf_args.do_force = 0; in _DeleteFocus()
1023 sf_args.do_force = 1; in _ForceDeleteFocus()
/dports/math/octave-forge-ltfat/ltfat/inst/wavelets/
H A Dwfbtput.m95 do_force = 0; variable
101 do_force = 1; variable
122 if(do_force)
155 if(do_force)
/dports/security/munge/munge-munge-0.5.14/src/mungekey/
H A Dconf.h39 unsigned do_force:1; /* flag to force overwriting key */ member

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