/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | lri_integrals.F | 414 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 …]
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H A D | qs_o3c_methods.F | 80 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
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | lri_integrals.F | 414 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 …]
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H A D | qs_o3c_methods.F | 61 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
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/dftgrad/ |
H A D | dftg_cdfit.F | 114 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
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H A D | dftg_grad2.F | 96 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
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H A D | dftg_griddo.F | 11 , 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,
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H A D | dftg_gridv0a.F | 10 , 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,
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H A D | dftg_gridv0.F | 105 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,
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H A D | dftg_gridv0b.F | 11 & 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
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/dftgrad/ |
H A D | dftg_cdfit.F | 114 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
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H A D | dftg_grad2.F | 96 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
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H A D | dftg_griddo.F | 11 , 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,
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H A D | dftg_gridv0a.F | 10 , 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,
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H A D | dftg_gridv0.F | 105 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,
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H A D | dftg_gridv0b.F | 11 & 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
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/dports/biology/wise/wise2.4.1/src/HMMer2/ |
H A D | hmmconvert.c | 79 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()
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/dports/multimedia/dvb-apps/dvb-apps-3d43b280298c/util/dvbdate/ |
H A D | dvbdate.c | 57 int do_force; variable 130 do_force = 1; in do_options() 330 do_force = 0; in main() 386 if (do_force) { in main()
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/dports/x11-wm/fvwm2/fvwm-2.6.9/fvwm/ |
H A D | focus.c | 59 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()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/grid/ |
H A D | dftg_loop.F | 25 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,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/grid/ |
H A D | dftg_loop.F | 25 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,
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/dports/biology/infernal/infernal-1.1.3/rmark/ |
H A D | rmark-master.pl | 60 $do_force = 0; 73 if (defined $opt_F) { $do_force = 1; } 165 if ($do_force && (-e $resultdir)) {
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/dports/x11-wm/fvwm3/fvwm3-1.0.4/fvwm/ |
H A D | focus.c | 60 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()
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/dports/math/octave-forge-ltfat/ltfat/inst/wavelets/ |
H A D | wfbtput.m | 95 do_force = 0; variable 101 do_force = 1; variable 122 if(do_force) 155 if(do_force)
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/dports/security/munge/munge-munge-0.5.14/src/mungekey/ |
H A D | conf.h | 39 unsigned do_force:1; /* flag to force overwriting key */ member
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