/dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
H A D | sph_dbes.f90 | 17 USE constants, ONLY : eps8 30 IF( XG < eps8 ) THEN 44 IF( XG < eps8 ) THEN 58 IF ( XG < eps8 ) THEN 73 IF ( XG < eps8 ) THEN 89 IF ( XG < eps8 ) THEN 121 USE constants, ONLY : eps8 128 if ( xg < eps8 ) then
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H A D | recvec_subs.f90 | 40 USE constants, ONLY : eps8 179 IF ( tt(k-kstart+1) > eps8 ) THEN 200 CALL hpsort_eps( ngm, g2sort_g, igsrt, eps8 ) 202 CALL hpsort_eps( ngm_g, g2sort_g, igsrt, eps8 ) 258 IF (gg(1).le.eps8) THEN
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H A D | electrons_base.f90 | 58 USE constants, ONLY : eps8 87 IF( ABS( nelec - ( nelup + neldw ) ) > eps8 ) THEN 104 IF( ABS( NINT( nelec ) - nelec ) > eps8 ) THEN 341 USE constants, ONLY : eps8 348 integer_charge = ( ABS (nelec_ - NINT(nelec_)) < eps8 ) 366 NINT(tot_magnetization_) ) < eps8 )
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H A D | qmmm.f90 | 201 USE constants, ONLY : bohr_radius_angs, eps8 213 IF( cell_mm(7) .GT. eps8 .OR. cell_mm(7) .LT. -eps8 .OR. & 214 cell_mm(8) .GT. eps8 .OR. cell_mm(8) .LT. -eps8 .OR. & 215 cell_mm(9) .GT. eps8 .OR. cell_mm(9) .LT. -eps8 ) THEN 455 USE constants, ONLY : e2, eps8, bohr_radius_angs 590 USE constants, ONLY : e2, eps8
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H A D | recvec.f90 | 145 USE constants, ONLY : eps8 169 IF (gg (ng) > gg (ng - 1) + eps8) THEN 179 IF (gg (ng) > gg (ng - 1) + eps8) THEN
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/src/ |
H A D | gk_sort.f90 | 18 USE constants, ONLY: eps8 55 IF ( q <= eps8 ) q = 0.0_DP 70 IF ( SUM( g(:,ng)**2 ) > ( q2x + eps8 ) ) EXIT 79 CALL hpsort_eps( ngk, gk, igk, eps8 )
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H A D | dvloc_of_g.f90 | 17 USE constants , ONLY : pi, fpi, e2, eps8 52 if (gl (1) < eps8) then 121 USE constants , ONLY : fpi, e2, eps8 138 if (gl (1) < eps8) then
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H A D | vloc_of_g.f90 | 22 USE constants, ONLY : pi, fpi, e2, eps8 63 if (gl (1) < eps8) then 142 USE constants, ONLY : fpi, e2, eps8 163 if (gl (1) < eps8) then
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H A D | Coul_cut_2D.f90 | 96 USE constants, ONLY : fpi, e2, eps8 115 IF (gg(1)<eps8) THEN 321 USE constants, ONLY : fpi, e2, eps8, tpi 410 USE constants, ONLY : eps8 436 IF (Gp < eps8) THEN 478 USE constants, ONLY : eps8 497 IF (Gp < eps8) THEN 533 USE constants, ONLY : e2, eps8 565 IF (Gp < eps8) THEN
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H A D | init_us_0.f90 | 27 USE constants, ONLY: fpi, sqrt2, eps8, eps6 71 drcut = ABS(LOG(eps8))/SQRT(ecutrho) 172 IF (rgrid(nt)%r(ir0) < eps8) ir0 = 2 252 IF (rgrid(nt)%r(ir0) < eps8) ir0 = 2 292 … IF (power_0(ijv,0)>eps8) target_ratio = MIN(target_ratio, power_r(ijv,0)/power_0(ijv,0)) 341 IF (power_q(ijv,0)>eps8) ratio = MIN(ratio, power_qs(ijv,0)/power_q(ijv,0)) 399 IF (rgrid(nt)%r(ir0) < eps8) ir0 = 2 430 IF (power_qs(ijv,0) > eps8) ratio_s = MIN(ratio_s, power_rs(ijv,0)/power_qs(ijv,0)) 439 IF (ratio < target_ratio .AND. (1.d0-ratio_s) < eps8) GOTO 99
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/dports/science/quantum-espresso/q-e-qe-6.7.0/GWW/simple/ |
H A D | gk_sort_limit.f90 | 18 USE constants, ONLY : eps8 46 IF(q<=eps8) q=0.d0 61 IF ( sum( g(:,ng)**2 ) > ( q2x + eps8 ) ) exit 70 CALL hpsort_eps( ngk, gk, igk, eps8 )
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/dports/science/quantum-espresso/q-e-qe-6.7.0/HP/src/ |
H A D | hp_init_q.f90 | 24 USE constants, ONLY : eps8, tpi 72 IF ( ABS( xq(1) - ( xk(1,ikq) - xk(1,ikk) ) ) > eps8 .OR. & 73 ABS( xq(2) - ( xk(2,ikq) - xk(2,ikk) ) ) > eps8 .OR. & 74 ABS( xq(3) - ( xk(3,ikq) - xk(3,ikk) ) ) > eps8 ) THEN
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PHonon/PH/ |
H A D | io_dyn_mat_old.f90 | 98 REAL(DP), PARAMETER :: eps8=1.D-8 local 172 IF( abs (celldm1(i)-celldm(i)) > eps8 ) & 181 if( abs (at1(i,j)-at(i,j)) > eps8) & 193 IF (abs(amass1-amass(nt)) > eps8 ) & 203 IF ( abs (tau1(1)-tau(1,na)) > eps8 .OR. & 204 abs (tau1(2)-tau(2,na)) > eps8 .OR. & 205 abs (tau1(3)-tau(3,na)) > eps8 ) &
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/dports/science/quantum-espresso/q-e-qe-6.7.0/TDDFPT/src/ |
H A D | lr_setup_nscf.f90 | 22 USE constants, ONLY : eps8 149 IF ( ABS( xq(1) ) < eps8 .AND. ABS( xq(2) ) < eps8 .AND. & 150 ABS( xq(3) ) < eps8 ) THEN
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/dports/math/R-cran-Rmpfr/Rmpfr/tests/ |
H A D | create.R | 79 eps8 <- 8 * .Machine$double.eps globalVar 83 all.equal(y, as.numeric(format(Y, digits=20)), tol= eps8) 84 all.equal(Y, as(format(Y), "mpfr"), tol= eps8) 112 stopifnot(all.equal(x., N(format(X., digits=digs)), tol = eps8) 113 , all.equal(x., N(log(exp(X.))), tol = 32*eps8)
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/dports/science/quantum-espresso/q-e-qe-6.7.0/upflib/ |
H A D | upf_auxtools.f90 | 62 USE upf_const, ONLY : eps6, eps8 97 IF ( norm < eps8 ) then 104 upf%oc (iwfc) = -eps8
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/dports/lang/gcc6-aux/gcc-6-20180516/gcc/testsuite/gfortran.dg/ |
H A D | complex_intrinsic_5.f90 | 13 real(8), parameter :: eps8 = epsilon(0.0_8)*2.0_8 variable 31 if ( abs (real(z)-real(zref)) > eps8 & 32 .or.abs (aimag(z)-aimag(zref)) > eps8) then 36 aimag(z)-aimag(zref), eps8
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/dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gfortran.dg/ |
H A D | complex_intrinsic_5.f90 | 13 real(8), parameter :: eps8 = epsilon(0.0_8)*2.0_8 variable 31 if ( abs (real(z)-real(zref)) > eps8 & 32 .or.abs (aimag(z)-aimag(zref)) > eps8) then 36 aimag(z)-aimag(zref), eps8
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/dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
H A D | complex_intrinsic_5.f90 | 13 real(8), parameter :: eps8 = epsilon(0.0_8)*2.0_8 variable 31 if ( abs (real(z)-real(zref)) > eps8 & 32 .or.abs (aimag(z)-aimag(zref)) > eps8) then 36 aimag(z)-aimag(zref), eps8
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/dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/gfortran.dg/ |
H A D | complex_intrinsic_5.f90 | 13 real(8), parameter :: eps8 = epsilon(0.0_8)*2.0_8 variable 31 if ( abs (real(z)-real(zref)) > eps8 & 32 .or.abs (aimag(z)-aimag(zref)) > eps8) then 36 aimag(z)-aimag(zref), eps8
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/dports/lang/gcc11/gcc-11.2.0/gcc/testsuite/gfortran.dg/ |
H A D | complex_intrinsic_5.f90 | 13 real(8), parameter :: eps8 = epsilon(0.0_8)*2.0_8 variable 31 if ( abs (real(z)-real(zref)) > eps8 & 32 .or.abs (aimag(z)-aimag(zref)) > eps8) then 36 aimag(z)-aimag(zref), eps8
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/dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
H A D | complex_intrinsic_5.f90 | 13 real(8), parameter :: eps8 = epsilon(0.0_8)*2.0_8 variable 31 if ( abs (real(z)-real(zref)) > eps8 & 32 .or.abs (aimag(z)-aimag(zref)) > eps8) then 36 aimag(z)-aimag(zref), eps8
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/dports/lang/gcc9-devel/gcc-9-20211007/gcc/testsuite/gfortran.dg/ |
H A D | complex_intrinsic_5.f90 | 13 real(8), parameter :: eps8 = epsilon(0.0_8)*2.0_8 variable 31 if ( abs (real(z)-real(zref)) > eps8 & 32 .or.abs (aimag(z)-aimag(zref)) > eps8) then 36 aimag(z)-aimag(zref), eps8
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/dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
H A D | complex_intrinsic_5.f90 | 13 real(8), parameter :: eps8 = epsilon(0.0_8)*2.0_8 variable 31 if ( abs (real(z)-real(zref)) > eps8 & 32 .or.abs (aimag(z)-aimag(zref)) > eps8) then 36 aimag(z)-aimag(zref), eps8
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/dports/devel/aarch64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gfortran.dg/ |
H A D | complex_intrinsic_5.f90 | 13 real(8), parameter :: eps8 = epsilon(0.0_8)*2.0_8 variable 31 if ( abs (real(z)-real(zref)) > eps8 & 32 .or.abs (aimag(z)-aimag(zref)) > eps8) then 36 aimag(z)-aimag(zref), eps8
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