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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/grid/
H A Dgrid_modify_pab_block.F56 ico = coset(lxa, lya, lza)
66 ico_l = coset((lxa + 1), lya, lza)
69 ico_l = coset((lxa + 1), lya, lza)
135 ico = coset(lxa, lya, lza)
217 ico = coset(lxa, lya, lza)
353 ico = coset(lxa, lya, lza)
360 ico_l = coset(lxa, lya, lza)
368 func_a = lya*(lya - 1)*pab(o1 + ico, o2 + jco)
469 ico = coset(lxa, lya, lza)
546 ico = coset(lxa, lya, lza)
[all …]
H A Dgrid_collocate.F134 DO lya = 0, la_max - lxa
136 DO lza = MAX(la_min - lxa - lya, 0), la_max - lxa - lya
170 DO lza = MAX(la_min - lxa - lya, 0), la_max - lxa - lya
202 DO lza = MAX(la_min - lxa - lya, 0), la_max - lxa - lya
234 DO lza = MAX(la_min - lxa - lya, 0), la_max - lxa - lya
264 DO lza = MAX(la_min - lxa - lya, 0), la_max - lxa - lya
293 DO lza = MAX(la_min - lxa - lya, 0), la_max - lxa - lya
328 DO lza = MAX(la_min - lxa - lya, 0), la_max - lxa - lya
541 DO lxa = MAX(la_min_local - lza - lya, 0), la_max_local - lza - lya
551 DO lyp = 0, lya + lyb
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_modify_pab_block.F72 ico = coset(lxa, lya, lza)
152 ico = coset(lxa, lya, lza)
234 ico = coset(lxa, lya, lza)
370 ico = coset(lxa, lya, lza)
377 ico_l = coset(lxa, lya, lza)
385 func_a = lya*(lya - 1)*pab(o1 + ico, o2 + jco)
387 ico_l = coset(lxa, lya, lza)
486 ico = coset(lxa, lya, lza)
564 ico = coset(lxa, lya, lza)
645 ico = coset(lxa, lya, lza)
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/tools/autotune_grid/xyz_to_vab/
H A Dxyz_to_vab.template114 …oef_tyz(@<lxa>@,@<lxb>@,@<lya>@,@<lyb>@)=coef_tyz(@<lxa>@,@<lxb>@,@<lya>@,@<lyb>@)+coef_ttz(@<lxa>…
141 <$--(if (lza+lya == 0))-->
144 DO lxa=MAX(la_min_local-@<lza>@-@<lya>@,0),@<la_max_local - lza - lya>@
146 ico=coset(lxa,@<lya>@,@<lza>@)
149 !ico=coset(0,@<lya>@,@<lza>@)
150 ico=@<(lya+lza)*(lya+lza+1)*(lya+lza+2)/6+1+(lya+lza)*(lya+lza+1)/2+lza>@
187 …oef_tyz(@<lxa>@,@<lxb>@,@<lya>@,@<lyb>@)=coef_tyz(@<lxa>@,@<lxb>@,@<lya>@,@<lyb>@)+coef_ttz(@<lxa>…
213 <$--(if (lza+lya == 0))-->
216 DO lxa=MAX(la_min_local-@<lza>@-@<lya>@,0),@<la_max_local - lza - lya>@
222 !ico=coset(0,@<lya>@,@<lza>@)
[all …]
H A Dxyz_to_vab_nonunroll.template24 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb
73 DO lya=0,@<la_max_local>@
75 DO lxa=0,@<la_max_local>@-lya
76 … coef_tyz(lxa,lxb,lya,lyb)=coef_tyz(lxa,lxb,lya,lyb)+coef_ttz(lxa,lxb)*alpha(lyp,lya,lyb,2)
87 DO lya=0,@<la_max_local>@-lza
90 DO lxa=MAX(la_min_local-lza-lya,0),@<la_max_local>@-lza-lya
91 ico=coset(lxa,lya,lza)
92 vab(ico,jco)=vab(ico,jco)+coef_tyz(lxa,lxb,lya,lyb)*alpha(lzp,lza,lzb,3)
H A Dxyz_to_vab_optimised.mod.template137 lya,lyb,lza,lzb
149 …! sum_{lxa,lya,lza,lxb,lyb,lzb} P_{lxa,lya,lza,lxb,lyb,lzb} (x-a_x)**lxa (y-a_y)**lya (z-a_z)**l…
186 ! compute v_{lxa,lya,lza,lxb,lyb,lzb} given v_{lxp,lyp,lzp} and alpha(ls,lxa,lxb,1)
208 DO lya=0,la_max_local
210 DO lxa=0,la_max_local-lya
211 … coef_tyz(lxa,lxb,lya,lyb)=coef_tyz(lxa,lxb,lya,lyb)+coef_ttz(lxa,lxb)*alpha(lyp,lya,lyb,2)
222 DO lya=0,la_max_local-lza
225 DO lxa=MAX(la_min_local-lza-lya,0),la_max_local-lza-lya
226 ico=coset(lxa,lya,lza)
227 vab(ico,jco)=vab(ico,jco)+coef_tyz(lxa,lxb,lya,lyb)*alpha(lzp,lza,lzb,3)
H A Dxyz_to_vab_optimised.F3793 … coef_tyz(lxa,lxb,lya,lyb)=coef_tyz(lxa,lxb,lya,lyb)+coef_ttz(lxa,lxb)*alpha(lyp,lya,lyb,2)
3807 DO lxa=MAX(la_min_local-lza-lya,0),1-lza-lya
5985 DO lxa=MAX(la_min_local-lza-lya,0),2-lza-lya
6123 DO lxa=MAX(la_min_local-lza-lya,0),2-lza-lya
7672 DO lxa=MAX(la_min_local-lza-lya,0),3-lza-lya
7810 DO lxa=MAX(la_min_local-lza-lya,0),3-lza-lya
7948 DO lxa=MAX(la_min_local-lza-lya,0),3-lza-lya
8667 DO lxa=MAX(la_min_local-lza-lya,0),4-lza-lya
8805 DO lxa=MAX(la_min_local-lza-lya,0),4-lza-lya
8943 DO lxa=MAX(la_min_local-lza-lya,0),4-lza-lya
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/autotune_grid/xyz_to_vab/
H A Dxyz_to_vab.template114 …oef_tyz(@<lxa>@,@<lxb>@,@<lya>@,@<lyb>@)=coef_tyz(@<lxa>@,@<lxb>@,@<lya>@,@<lyb>@)+coef_ttz(@<lxa>…
141 <$--(if (lza+lya == 0))-->
144 DO lxa=MAX(la_min_local-@<lza>@-@<lya>@,0),@<la_max_local - lza - lya>@
146 ico=coset(lxa,@<lya>@,@<lza>@)
149 !ico=coset(0,@<lya>@,@<lza>@)
150 ico=@<(lya+lza)*(lya+lza+1)*(lya+lza+2)/6+1+(lya+lza)*(lya+lza+1)/2+lza>@
187 …oef_tyz(@<lxa>@,@<lxb>@,@<lya>@,@<lyb>@)=coef_tyz(@<lxa>@,@<lxb>@,@<lya>@,@<lyb>@)+coef_ttz(@<lxa>…
213 <$--(if (lza+lya == 0))-->
216 DO lxa=MAX(la_min_local-@<lza>@-@<lya>@,0),@<la_max_local - lza - lya>@
222 !ico=coset(0,@<lya>@,@<lza>@)
[all …]
H A Dxyz_to_vab_nonunroll.template24 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb
73 DO lya=0,@<la_max_local>@
75 DO lxa=0,@<la_max_local>@-lya
76 … coef_tyz(lxa,lxb,lya,lyb)=coef_tyz(lxa,lxb,lya,lyb)+coef_ttz(lxa,lxb)*alpha(lyp,lya,lyb,2)
87 DO lya=0,@<la_max_local>@-lza
90 DO lxa=MAX(la_min_local-lza-lya,0),@<la_max_local>@-lza-lya
91 ico=coset(lxa,lya,lza)
92 vab(ico,jco)=vab(ico,jco)+coef_tyz(lxa,lxb,lya,lyb)*alpha(lzp,lza,lzb,3)
H A Dxyz_to_vab_optimised.mod.template137 lya,lyb,lza,lzb
149 …! sum_{lxa,lya,lza,lxb,lyb,lzb} P_{lxa,lya,lza,lxb,lyb,lzb} (x-a_x)**lxa (y-a_y)**lya (z-a_z)**l…
186 ! compute v_{lxa,lya,lza,lxb,lyb,lzb} given v_{lxp,lyp,lzp} and alpha(ls,lxa,lxb,1)
208 DO lya=0,la_max_local
210 DO lxa=0,la_max_local-lya
211 … coef_tyz(lxa,lxb,lya,lyb)=coef_tyz(lxa,lxb,lya,lyb)+coef_ttz(lxa,lxb)*alpha(lyp,lya,lyb,2)
222 DO lya=0,la_max_local-lza
225 DO lxa=MAX(la_min_local-lza-lya,0),la_max_local-lza-lya
226 ico=coset(lxa,lya,lza)
227 vab(ico,jco)=vab(ico,jco)+coef_tyz(lxa,lxb,lya,lyb)*alpha(lzp,lza,lzb,3)
H A Dxyz_to_vab_optimised.F3793 … coef_tyz(lxa,lxb,lya,lyb)=coef_tyz(lxa,lxb,lya,lyb)+coef_ttz(lxa,lxb)*alpha(lyp,lya,lyb,2)
3807 DO lxa=MAX(la_min_local-lza-lya,0),1-lza-lya
5985 DO lxa=MAX(la_min_local-lza-lya,0),2-lza-lya
6123 DO lxa=MAX(la_min_local-lza-lya,0),2-lza-lya
7672 DO lxa=MAX(la_min_local-lza-lya,0),3-lza-lya
7810 DO lxa=MAX(la_min_local-lza-lya,0),3-lza-lya
7948 DO lxa=MAX(la_min_local-lza-lya,0),3-lza-lya
8667 DO lxa=MAX(la_min_local-lza-lya,0),4-lza-lya
8805 DO lxa=MAX(la_min_local-lza-lya,0),4-lza-lya
8943 DO lxa=MAX(la_min_local-lza-lya,0),4-lza-lya
[all …]
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/autotune_grid/
H A Dqs_integrate_potential.F232 DO lya=0,la_max_local
234 DO lxa=0,la_max_local-lya
235 … coef_tyz(lxa,lxb,lya,lyb)=coef_tyz(lxa,lxb,lya,lyb)+coef_ttz(lxa,lxb)*alpha(lyp,lya,lyb,2)
246 DO lya=0,la_max_local-lza
249 DO lxa=MAX(la_min_local-lza-lya,0),la_max_local-lza-lya
266 DO lya=0,la_max_local-lza
268 DO lxa=MAX(la_min_local-lza-lya,0),la_max_local-lza-lya
269 ico=coset(lxa,lya,lza)
295 DO lya=0,la_max-lxa
297 DO lza=MAX(la_min-lxa-lya,0),la_max-lxa-lya
[all …]
H A Dl_utils.F80 lxb, lxyz, lya, lyb, lza, lzb local
114 DO lya=0,la_max-lxa
116 DO lza=MAX(la_min-lxa-lya,0),la_max-lxa-lya
119 ipzyx(lxa,lya,lza,lxb,lyb,lzb)=lxyz
293 lxb, lxy, lxyz, lya, lyb, & local
306 DO lya=0,la_max-lxa
309 DO lza=MAX(la_min-lxa-lya,0),la_max-lxa-lya
332 DO lya=0,la_max-lxa
336 DO lza=MAX(la_min-lxa-lya,0),la_max-lxa-lya
H A Dqs_collocate_density.F89 length, lx, lx_max, lxa, lxb, lxy, lxy_max, lxyz, lxyz_max, lya, lyb, & local
237 DO lya=0,la_max_local-lza
238 lxpm=(lb_max_local-lzb-lyb)+(la_max_local-lza-lya)
241 DO lxa=MAX(la_min_local-lza-lya,0),la_max_local-lza-lya
242 ico=coset(lxa,lya,lza)
251 DO lyp=0,lya+lyb
252 DO lxp=0,lp-lza-lzb-lya-lyb
254 coef_xyt(lxy)=coef_xyt(lxy)+alpha(lyp,lya,lyb,2)*coef_xtt(lxp)
256 lxy=lxy+lza+lzb+lya+lyb-lyp
H A Dqs_interactions.F106 lb(3), lxa, lxb, lya, lyb, & local
118 DO lya=0,la_max-lxa
120 DO lza=MAX(la_min-lxa-lya,0),la_max-lxa-lya
122 la=(/lxa,lya,lza/)
124 ico=coset(lxa,lya,lza)
/dports/science/cp2k-data/cp2k-7.1.0/tools/autotune_grid/
H A Dqs_integrate_potential.F232 DO lya=0,la_max_local
234 DO lxa=0,la_max_local-lya
235 … coef_tyz(lxa,lxb,lya,lyb)=coef_tyz(lxa,lxb,lya,lyb)+coef_ttz(lxa,lxb)*alpha(lyp,lya,lyb,2)
246 DO lya=0,la_max_local-lza
249 DO lxa=MAX(la_min_local-lza-lya,0),la_max_local-lza-lya
266 DO lya=0,la_max_local-lza
268 DO lxa=MAX(la_min_local-lza-lya,0),la_max_local-lza-lya
269 ico=coset(lxa,lya,lza)
295 DO lya=0,la_max-lxa
297 DO lza=MAX(la_min-lxa-lya,0),la_max-lxa-lya
[all …]
H A Dl_utils.F80 lxb, lxyz, lya, lyb, lza, lzb local
114 DO lya=0,la_max-lxa
116 DO lza=MAX(la_min-lxa-lya,0),la_max-lxa-lya
119 ipzyx(lxa,lya,lza,lxb,lyb,lzb)=lxyz
293 lxb, lxy, lxyz, lya, lyb, & local
306 DO lya=0,la_max-lxa
309 DO lza=MAX(la_min-lxa-lya,0),la_max-lxa-lya
332 DO lya=0,la_max-lxa
336 DO lza=MAX(la_min-lxa-lya,0),la_max-lxa-lya
H A Dqs_collocate_density.F89 length, lx, lx_max, lxa, lxb, lxy, lxy_max, lxyz, lxyz_max, lya, lyb, & local
237 DO lya=0,la_max_local-lza
238 lxpm=(lb_max_local-lzb-lyb)+(la_max_local-lza-lya)
241 DO lxa=MAX(la_min_local-lza-lya,0),la_max_local-lza-lya
242 ico=coset(lxa,lya,lza)
251 DO lyp=0,lya+lyb
252 DO lxp=0,lp-lza-lzb-lya-lyb
254 coef_xyt(lxy)=coef_xyt(lxy)+alpha(lyp,lya,lyb,2)*coef_xtt(lxp)
256 lxy=lxy+lza+lzb+lya+lyb-lyp
H A Dqs_interactions.F106 lb(3), lxa, lxb, lya, lyb, & local
118 DO lya=0,la_max-lxa
120 DO lza=MAX(la_min-lxa-lya,0),la_max-lxa-lya
122 la=(/lxa,lya,lza/)
124 ico=coset(lxa,lya,lza)
/dports/science/bagel/bagel-1.2.2/src/integral/ecp/testcode/sointegral/
H A Dmain.cc42 for (int lya = 0; lya <= lA-lza; ++lya) in main() local
45 const int lxa = lA-lza-lya; in main()
47 const array<int, 3> angA = {{lxa, lya, lza}}; in main()
71 cout << "lA = (" << lxa << ", " << lya << ", " << lza << ") l = " << l << " "; in main()
/dports/x11-fm/rodent/rodent-5.3.16.3/apps/rodent-fm/po/
H A Dlg.po296 #~ msgstr "Linnya lya langi:"
315 #~ msgstr "Linnya lya mukozesa:"
331 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
343 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
381 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
385 #~ msgstr "Ekyo tekikola nga linnya lya fayiro"
422 #~ msgstr "Linnya lya mukozesa:"
448 #~ msgstr "Ekyo tekikola nga linnya lya fayiro"
539 #~ msgstr "Linnya lya puloguramu"
586 #~ msgstr "Linnya lya mukozesa:"
[all …]
/dports/x11-fm/rodent/rodent-5.3.16.3/apps/rodent-samba/po/
H A Dlg.po64 msgstr "Linnya lya mukozesa:"
285 #~ msgstr "Linnya lya langi:"
300 #~ msgstr "Linnya lya mukozesa:"
316 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
328 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
362 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
366 #~ msgstr "Ekyo tekikola nga linnya lya fayiro"
403 #~ msgstr "Linnya lya mukozesa:"
426 #~ msgstr "Ekyo tekikola nga linnya lya fayiro"
517 #~ msgstr "Linnya lya puloguramu"
[all …]
/dports/x11-fm/rodent/rodent-5.3.16.3/apps/rodent-ps/po/
H A Dlg.po77 msgstr "Linnya lya puloguramu"
315 #~ msgstr "Linnya lya langi:"
334 #~ msgstr "Linnya lya mukozesa:"
350 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
362 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
400 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
404 #~ msgstr "Ekyo tekikola nga linnya lya fayiro"
445 #~ msgstr "Linnya lya mukozesa:"
471 #~ msgstr "Ekyo tekikola nga linnya lya fayiro"
549 #~ msgstr "Linnya lya mukozesa:"
[all …]
/dports/x11-fm/rodent/rodent-5.3.16.3/apps/rodent-fstab/po/
H A Dlg.po107 msgstr "Linnya lya mukozesa:"
270 #~ msgstr "Linnya lya langi:"
285 #~ msgstr "Linnya lya mukozesa:"
301 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
313 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
347 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
351 #~ msgstr "Ekyo tekikola nga linnya lya fayiro"
392 #~ msgstr "Linnya lya mukozesa:"
418 #~ msgstr "Ekyo tekikola nga linnya lya fayiro"
509 #~ msgstr "Linnya lya puloguramu"
[all …]
/dports/x11-fm/rodent/rodent-5.3.16.3/apps/rodent-dotdesktop/po/
H A Dlg.po365 #~ msgstr "Linnya lya langi:"
384 #~ msgstr "Linnya lya mukozesa:"
400 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
412 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
450 #~ msgstr "awandibadde linnya lya fayiro waliwo bbanga"
454 #~ msgstr "Ekyo tekikola nga linnya lya fayiro"
495 #~ msgstr "Linnya lya mukozesa:"
521 #~ msgstr "Ekyo tekikola nga linnya lya fayiro"
612 #~ msgstr "Linnya lya puloguramu"
659 #~ msgstr "Linnya lya mukozesa:"
[all …]

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