/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
H A D | argos_cafe_slowr.F | 82 txx=txx+wfac*dxt*dxt 83 txy=txy+wfac*dxt*dyt 84 txz=txz+wfac*dxt*dzt 85 tyy=tyy+wfac*dyt*dyt 86 tyz=tyz+wfac*dyt*dzt 87 tzz=tzz+wfac*dzt*dzt 98 txx=txx+wfac*dxt*dxt 99 txy=txy+wfac*dxt*dyt 100 txz=txz+wfac*dxt*dzt 101 tyy=tyy+wfac*dyt*dyt [all …]
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
H A D | argos_cafe_slowr.F | 82 txx=txx+wfac*dxt*dxt 83 txy=txy+wfac*dxt*dyt 84 txz=txz+wfac*dxt*dzt 85 tyy=tyy+wfac*dyt*dyt 86 tyz=tyz+wfac*dyt*dzt 87 tzz=tzz+wfac*dzt*dzt 98 txx=txx+wfac*dxt*dxt 99 txy=txy+wfac*dxt*dyt 100 txz=txz+wfac*dxt*dzt 101 tyy=tyy+wfac*dyt*dyt [all …]
|
/dports/science/afni/afni-AFNI_21.3.16/src/ |
H A D | mri_check.c | 51 MRI_IMAGE * mri_wiper_2D( int wcode,float wfac, MRI_IMAGE *ima, MRI_IMAGE *imb ) in mri_wiper_2D() argument 64 if( wfac <= 0.0f ){ imc = mri_copy(imb) ; RETURN(imc) ; } in mri_wiper_2D() 65 else if( wfac >= 1.0f ){ imc = mri_copy(ima) ; RETURN(imc) ; } in mri_wiper_2D() 83 ib = (int)rintf(wfac*nx) ; in mri_wiper_2D() 89 jb = (int)rintf(wfac*ny) ; in mri_wiper_2D() 101 rr = (ii-nxh)*(ii-nxh)*nxq+jr; if( rr >= wfac ) mar[IJ(ii,jj)] = 1; in mri_wiper_2D() 133 MRI_IMAGE * mri_mix_2D( float wfac, MRI_IMAGE *ima, MRI_IMAGE *imb ) in mri_mix_2D() argument 145 if( wfac <= 0.0f ){ imc = mri_copy(ima) ; RETURN(imc) ; } in mri_mix_2D() 146 else if( wfac >= 1.0f ){ imc = mri_copy(imb) ; RETURN(imc) ; } in mri_mix_2D() 149 fa = 1.0f-wfac ; fb = wfac ; in mri_mix_2D()
|
H A D | mri_nwarp.h | 160 int incode , float wfac , 168 float dxyz_mast , float wfac , int nvlim , 175 float dxyz_mast, float wfac, int nvlim ) ;
|
H A D | 3dNwarpApply.c | 434 float wfac=1.0f ; in main() local 861 interp_code,ainter_code , 0.0f , wfac , 0 ) ; in main()
|
H A D | mri_genalign_util.c | 619 float xw,yw,zw,rr , sum,wsum,wfac,wt ; in GA_interp_wsinc5p() local 651 wfac = wsum ; in GA_interp_wsinc5p() 809 wfac *= wsum ; in GA_interp_wsinc5p() 832 wfac *= wsum ; in GA_interp_wsinc5p() 845 vv[pp] = sum / wfac ; in GA_interp_wsinc5p() 894 float xw,yw,rr , sum,wsum,wfac,wt ; in GA_interp_wsinc5_2D() local 922 wfac = wsum ; in GA_interp_wsinc5_2D() 939 wfac *= wsum ; in GA_interp_wsinc5_2D() 944 vv[pp] = sum / wfac ; in GA_interp_wsinc5_2D()
|
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_charge_mixing.F | 162 wfac local 198 wfac = 0.01_dp 203 IF (mixing_store%wbroy(nv) > (wfac/maxw)) THEN 204 mixing_store%wbroy(nv) = wfac/mixing_store%wbroy(nv) 219 wfac = SUM(mixing_store%dfbroy(:, :, i)*mixing_store%dfbroy(:, :, nv)) 220 CALL mp_sum(wfac, para_env%group) 221 mixing_store%abroy(i, nv) = wfac 222 mixing_store%abroy(nv, i) = wfac 228 wfac = SUM(mixing_store%dfbroy(:, :, i)*dq_now(:, :)) 229 CALL mp_sum(wfac, para_env%group) [all …]
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_charge_mixing.F | 162 wfac local 198 wfac = 0.01_dp 203 IF (mixing_store%wbroy(nv) > (wfac/maxw)) THEN 204 mixing_store%wbroy(nv) = wfac/mixing_store%wbroy(nv) 219 wfac = SUM(mixing_store%dfbroy(:, :, i)*mixing_store%dfbroy(:, :, nv)) 220 CALL mp_sum(wfac, para_env%group) 221 mixing_store%abroy(i, nv) = wfac 222 mixing_store%abroy(nv, i) = wfac 228 wfac = SUM(mixing_store%dfbroy(:, :, i)*dq_now(:, :)) 229 CALL mp_sum(wfac, para_env%group) [all …]
|
/dports/science/xtb/xtb-6.4.1/src/ |
H A D | broyden.f90 | 61 real(wp) minw,maxw,wfac local 77 wfac = 0.01d0 97 if (omega(it1) .gt. (wfac / maxw)) then 98 omega(it1) = wfac / omega(it1)
|
/dports/science/ergo/ergo-3.8/source/dft/ |
H A D | grid_atomic.cc | 118 real n_one, n_pi, wfac; in generate() local 125 wfac = 16.0/(3*n_one); in generate() 135 w = wfac*sinangl2*sinangl2; in generate()
|
/dports/science/gromacs/gromacs-2021.4/src/gromacs/mdlib/ |
H A D | lincs.cpp | 831 real wfac, in calc_dist_iter() argument 850 if (dlen2 < wfac * len2) in calc_dist_iter() 878 real wfac, in calc_dist_iter_simd() argument 885 SimdReal wfac_S(wfac); in calc_dist_iter_simd() 1092 real wfac; in do_lincs() local 1094 wfac = std::cos(DEG2RAD * wangle); in do_lincs() 1095 wfac = wfac * wfac; in do_lincs() 1118 calc_dist_iter_simd(b0, b1, atoms, xp, bllen.data(), blc.data(), pbc_simd, wfac, in do_lincs() 1121 calc_dist_iter(b0, b1, atoms, xp, bllen.data(), blc.data(), pbc, wfac, rhs1.data(), in do_lincs() 2152 real wfac = std::cos(DEG2RAD * wangle); in lincs_warning() local [all …]
|
/dports/science/gromacs/gromacs-2021.4/src/programs/view/ |
H A D | logo.cpp | 114 const real wfac = wd->width / 110.0; in LogoCallBack() local 118 c[i].x *= wfac; in LogoCallBack()
|
/dports/graphics/blender/blender-2.91.0/source/blender/modifiers/intern/ |
H A D | MOD_normal_edit.c | 145 float *facs = NULL, *wfac; in mix_normals() local 155 for (i = num_loops, no_new = nos_new, no_old = nos_old, wfac = facs; i--; in mix_normals() 156 no_new++, no_old++, wfac++) { in mix_normals() 157 const float fac = facs ? *wfac * mix_factor : mix_factor; in mix_normals()
|
/dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/ |
H A D | pair_polymorphic.cpp | 153 double zeta_ij,prefactor,wfac,pfac,gfac,fa,fa_d,bij,bij_d; in compute() local 316 (q.W)->value(drW[kk],wfac,1,fpair,0); in compute() 318 zeta_ij += wfac; in compute() 343 (q.W)->value(drW[kk],wfac,0,fpair,1); in compute() 398 (q.W)->value(r2,wfac,1,fpair,0); in compute() 402 zeta_ij += wfac*pfac*gfac; in compute()
|
/dports/science/cp2k-data/cp2k-7.1.0/src/motion/ |
H A D | free_energy_methods.F | 818 std_DUE, tmp, tmp2, wfac local 874 wfac = 0.0_dp 876 wfac = wfac + EXP(beta*(cum_res(3, j) - avg_BP)) 882 tmp2 = EXP(beta*(cum_res(3, j) - avg_BP))/wfac
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/motion/ |
H A D | free_energy_methods.F | 818 std_DUE, tmp, tmp2, wfac local 874 wfac = 0.0_dp 876 wfac = wfac + EXP(beta*(cum_res(3, j) - avg_BP)) 882 tmp2 = EXP(beta*(cum_res(3, j) - avg_BP))/wfac
|
/dports/math/octave-forge-ltfat/ltfat/src/modules/libltfat/src/ |
H A D | filedefs.mk | 12 reassign.c gabdual_painless.c wfac.c iwfac.c \
|
H A D | gabdual.c | 33 CHECKSTATUS( LTFAT_NAME(wfac)(g, L, R, a, M, gf)); in LTFAT_NAME()
|
H A D | gabtight.c | 32 CHECKSTATUS( LTFAT_NAME(wfac)(g, L, R, a, M, gf)); in LTFAT_NAME()
|
/dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxana/ |
H A D | gmx_nmeig.cpp | 515 real wfac; in gmx_nmeig() local 736 wfac = eigenvalues[i - begin] / (width * std::sqrt(2 * M_PI)); in gmx_nmeig() 739 spectrum[j] += wfac * std::exp(-gmx::square(j - value) / (2 * gmx::square(width))); in gmx_nmeig()
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/hondo/ |
H A D | hnd_droot.F | 412 double precision temp,rfac,wfac 422 wfac=sqrt(rfac) 426 w9(i)=wfac*wts_large(i,nroots)
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/hondo/ |
H A D | hnd_droot.F | 412 double precision temp,rfac,wfac 422 wfac=sqrt(rfac) 426 w9(i)=wfac*wts_large(i,nroots)
|
/dports/math/octave-forge-ltfat/ltfat/src/modules/libltfat/include/ltfat/ |
H A D | typecomplexindependent.h | 22 LTFAT_NAME(wfac)(const LTFAT_TYPE *g, ltfat_int L, ltfat_int R,
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/cafe/ |
H A D | cf_main.F | 2582 txx=txx+wfac*dxt*dxt 2583 txy=txy+wfac*dxt*dyt 2584 txz=txz+wfac*dxt*dzt 2585 tyy=tyy+wfac*dyt*dyt 2586 tyz=tyz+wfac*dyt*dzt 2587 tzz=tzz+wfac*dzt*dzt 2598 txx=txx+wfac*dxt*dxt 2599 txy=txy+wfac*dxt*dyt 2600 txz=txz+wfac*dxt*dzt 2601 tyy=tyy+wfac*dyt*dyt [all …]
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/cafe/ |
H A D | cf_main.F | 2582 txx=txx+wfac*dxt*dxt 2583 txy=txy+wfac*dxt*dyt 2584 txz=txz+wfac*dxt*dzt 2585 tyy=tyy+wfac*dyt*dyt 2586 tyz=tyz+wfac*dyt*dzt 2587 tzz=tzz+wfac*dzt*dzt 2598 txx=txx+wfac*dxt*dxt 2599 txy=txy+wfac*dxt*dyt 2600 txz=txz+wfac*dxt*dzt 2601 tyy=tyy+wfac*dyt*dyt [all …]
|