/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | hartree_local_methods.F | 151 l_ang = indso(1, iso) 162 I1_up = r2l(nr, l_ang)*rho_1(nr, iso) 163 I2_up = r2l(nr, l_ang)*rho_2(nr, iso) 171 (oor2l(nr, l_ang + 1)*I1_up + r2l(nr, l_ang)*I1_down) 173 (oor2l(nr, l_ang + 1)*I2_up + r2l(nr, l_ang)*I2_down) 182 (oor2l(ir, l_ang + 1)*I1_up + r2l(ir, l_ang)*I1_down) 184 (oor2l(ir, l_ang + 1)*I2_up + r2l(ir, l_ang)*I2_down) 359 DO l_ang = 0, lmax0 360 g0_h_w(1:nr, l_ang) = g0_h(1:nr, l_ang)*grid_atom%wr(1:nr) 370 l_ang = indso(1, is1) [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | hartree_local_methods.F | 151 l_ang = indso(1, iso) 162 I1_up = r2l(nr, l_ang)*rho_1(nr, iso) 163 I2_up = r2l(nr, l_ang)*rho_2(nr, iso) 171 (oor2l(nr, l_ang + 1)*I1_up + r2l(nr, l_ang)*I1_down) 173 (oor2l(nr, l_ang + 1)*I2_up + r2l(nr, l_ang)*I2_down) 182 (oor2l(ir, l_ang + 1)*I1_up + r2l(ir, l_ang)*I1_down) 184 (oor2l(ir, l_ang + 1)*I2_up + r2l(ir, l_ang)*I2_down) 371 DO l_ang = 0, lmax0 372 g0_h_w(1:nr, l_ang) = g0_h(1:nr, l_ang)*grid_atom%wr(1:nr) 382 l_ang = indso(1, is1) [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/grid/ |
H A D | grid_setang.F | 16 integer l_ang, iang, n, mxnang 33 call xc_lebedev(l_ang, oprint) 34 nang_leb_pts = l_ang
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/grid/ |
H A D | grid_setang.F | 16 integer l_ang, iang, n, mxnang 33 call xc_lebedev(l_ang, oprint) 34 nang_leb_pts = l_ang
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/dports/astro/kstars/kstars-3.5.6/packaging/android/apk/src/org/kde/kstars/math/ |
H A D | Quaternion.java | 81 float l_ang = (float)Math.toRadians(angle); in set() local 82 float l_sin = (float)Math.sin(l_ang / 2); in set() 83 float l_cos = (float)Math.cos(l_ang / 2); in set() 266 float l_ang = angle * MathUtils.degreesToRadians; in setFromAxis() local 267 float l_sin = MathUtils.sin(l_ang / 2); in setFromAxis() 268 float l_cos = MathUtils.cos(l_ang / 2); in setFromAxis()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/argos/ |
H A D | argos_prepare_mksgm.F | 35 integer l_bnd,i_bnd,l_ang,i_ang,l_dih,i_dih,l_imp,i_imp 102 if(.not.ma_push_get(mt_int,3*mang,'ang',l_ang,i_ang)) 191 if(.not.ma_pop_stack(l_ang))
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H A D | argos_prep_mksgm.F | 33 integer l_bnd,i_bnd,l_ang,i_ang,l_dih,i_dih,l_imp,i_imp 100 if(.not.ma_push_get(mt_int,3*mang,'ang',l_ang,i_ang)) 189 if(.not.ma_pop_stack(l_ang))
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H A D | argos_prepare_mkseq.F | 47 integer l_bnd,i_bnd,l_ang,i_ang,l_dih,i_dih,l_imp,i_imp 319 if(.not.ma_push_get(mt_int,3*mang,'ang',l_ang,i_ang)) 353 if(.not.ma_pop_stack(l_ang))
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H A D | argos_prep_mkseq.F | 47 integer l_bnd,i_bnd,l_ang,i_ang,l_dih,i_dih,l_imp,i_imp 319 if(.not.ma_push_get(mt_int,3*mang,'ang',l_ang,i_ang)) 353 if(.not.ma_pop_stack(l_ang))
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H A D | argos_cafe_finish.F | 109 if(.not.ma_pop_stack(l_ang(id)))
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H A D | argos_cafe_initb.F | 67 + l_ang(id),i_ang(id)))
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/prepar/ |
H A D | pre_mksgm.F | 30 integer l_bnd,i_bnd,l_ang,i_ang,l_dih,i_dih,l_imp,i_imp 97 if(.not.ma_push_get(mt_int,3*mang,'ang',l_ang,i_ang)) 183 if(.not.ma_pop_stack(l_ang))
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H A D | pre_mkseq.F | 41 integer l_bnd,i_bnd,l_ang,i_ang,l_dih,i_dih,l_imp,i_imp 313 if(.not.ma_push_get(mt_int,3*mang,'ang',l_ang,i_ang)) 347 if(.not.ma_pop_stack(l_ang))
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/argos/ |
H A D | argos_prep_mksgm.F | 33 integer l_bnd,i_bnd,l_ang,i_ang,l_dih,i_dih,l_imp,i_imp local 100 if(.not.ma_push_get(mt_int,3*mang,'ang',l_ang,i_ang)) 189 if(.not.ma_pop_stack(l_ang))
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H A D | argos_prepare_mksgm.F | 35 integer l_bnd,i_bnd,l_ang,i_ang,l_dih,i_dih,l_imp,i_imp 102 if(.not.ma_push_get(mt_int,3*mang,'ang',l_ang,i_ang)) 191 if(.not.ma_pop_stack(l_ang))
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H A D | argos_prepare_mkseq.F | 47 integer l_bnd,i_bnd,l_ang,i_ang,l_dih,i_dih,l_imp,i_imp 319 if(.not.ma_push_get(mt_int,3*mang,'ang',l_ang,i_ang)) 353 if(.not.ma_pop_stack(l_ang))
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H A D | argos_prep_mkseq.F | 47 integer l_bnd,i_bnd,l_ang,i_ang,l_dih,i_dih,l_imp,i_imp 319 if(.not.ma_push_get(mt_int,3*mang,'ang',l_ang,i_ang)) 353 if(.not.ma_pop_stack(l_ang))
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H A D | argos_cafe_finish.F | 109 if(.not.ma_pop_stack(l_ang(id)))
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/prepar/ |
H A D | pre_mksgm.F | 30 integer l_bnd,i_bnd,l_ang,i_ang,l_dih,i_dih,l_imp,i_imp 97 if(.not.ma_push_get(mt_int,3*mang,'ang',l_ang,i_ang)) 183 if(.not.ma_pop_stack(l_ang))
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H A D | pre_mkseq.F | 41 integer l_bnd,i_bnd,l_ang,i_ang,l_dih,i_dih,l_imp,i_imp 313 if(.not.ma_push_get(mt_int,3*mang,'ang',l_ang,i_ang)) 347 if(.not.ma_pop_stack(l_ang))
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/dports/graphics/wings/wings-8d019ebe48/ |
H A D | README.jp | 36 プラグイン名がおかしい、ロケール名を含んだ不正なファイルがあるとエラーがでます(例:mac_file_jp.l_ang )
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/ |
H A D | xc_lebedev.F | 1 subroutine xc_lebedev(l_ang, oprint) argument 31 integer nop, n48, iv, k, ks, isi, j, ia, l_ang, iaz, jk, jk1, 4064 l_ang = 1 4071 l_ang = 0 4112 l_ang = l_ang + 1 4113 za_leb(1,l_ang,iaz) = gjkt1 4114 za_leb(2,l_ang,iaz) = gjkt2 4115 za_leb(3,l_ang,iaz) = gjkt3 4116 wa_leb(l_ang,iaz) = wleb(jk)*fourpi 4117 wtest = wtest + wa_leb(l_ang,ia) [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/ |
H A D | xc_lebedev.F | 1 subroutine xc_lebedev(l_ang, oprint) argument 31 integer nop, n48, iv, k, ks, isi, j, ia, l_ang, iaz, jk, jk1, 4064 l_ang = 1 4071 l_ang = 0 4112 l_ang = l_ang + 1 4113 za_leb(1,l_ang,iaz) = gjkt1 4114 za_leb(2,l_ang,iaz) = gjkt2 4115 za_leb(3,l_ang,iaz) = gjkt3 4116 wa_leb(l_ang,iaz) = wleb(jk)*fourpi 4117 wtest = wtest + wa_leb(l_ang,ia) [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/cafe/ |
H A D | cf_finish.F | 109 if(.not.ma_pop_stack(l_ang(id)))
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/cafe/ |
H A D | cf_finish.F | 109 if(.not.ma_pop_stack(l_ang(id)))
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