| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/api/ |
| H A D | intpd_2e2c.F | 68 integer Lp, p_prim, p_gen, p_iexp, p_icfp, p_cent
122 p_cent = (sf_ibs_cn2ce(ish,bra))
124 if (p_cent.eq.q_cent) then
149 & coords(1,p_cent,p_geom), dbl_mb(mb_exndcf(p_iexp,bra)),
150 & dbl_mb(mb_exndcf(p_icfp,bra)), p_prim, p_gen, Lp, p_cent,
151 & coords(1,p_cent,p_geom), DCexp,
152 & DCcoeff , 1, 1, 0, p_cent,
162 call intd_sum2c(eri,mynint,idatom,p_cent,q_cent)
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| H A D | intpd_2e3c.F | 73 integer Lp, p_prim, p_gen, p_iexp, p_icfp, p_cent
125 p_cent = (sf_ibs_cn2ce(ish,bra))
129 if (p_cent.eq.c_cent.and.c_cent.eq.d_cent) then
140 call intp_txyz(p_cent,p_geom,Ri,xyz_new_i)
172 & p_cent,
174 & DCcoeff , 1, 1, 0, p_cent,
184 call intd_sum(eri,mynint,idatom,p_cent,p_cent,c_cent,d_cent)
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| H A D | int_2e3c.F | 85 integer Lp, p_prim, p_gen, p_iexp, p_icfp, p_cent local
166 p_cent = (sf_ibs_cn2ce(ish,bra))
225 & brain,ish,coords(1,p_cent,p_geom),
226 & 0,coords(1,p_cent,p_geom),
282 & coords(1,p_cent,p_geom), dbl_mb(mb_exndcf(p_iexp,bra)),
284 & dbl_mb(mb_exndcf(p_icfp,bra)),p_prim,p_gen,Lp,p_cent,
285 & coords(1,p_cent,p_geom),DCexp,DCcoeff,
286 & DCcoeff,1,1,0,p_cent,
299 & coords(1,p_cent,p_geom), dbl_mb(mb_exndcf(p_iexp,bra)),
301 & coords(1,p_cent,p_geom), DCexp,
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| H A D | int_2e2c.F | 78 integer Lp, p_prim, p_gen, p_iexp, p_icfp, p_cent local
145 p_cent = (sf_ibs_cn2ce(ish,bra))
172 & brain,ish,coords(1,p_cent,p_geom),
173 & 0,coords(1,p_cent,p_geom),
218 & coords(1,p_cent,p_geom), dbl_mb(mb_exndcf(p_iexp,bra)),
220 & coords(1,p_cent,p_geom), DCexp,
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| H A D | intp_2e2c.F | 62 integer Lp, p_prim, p_gen, p_iexp, p_icfp, p_cent local
110 p_cent = (sf_ibs_cn2ce(ish,bra))
132 & coords(1,p_cent,p_geom), dbl_mb(mb_exndcf(p_iexp,bra)),
134 & coords(1,p_cent,p_geom), DCexp,
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| H A D | intp_2e3c.F | 67 integer Lp, p_prim, p_gen, p_iexp, p_icfp, p_cent local
118 p_cent = (sf_ibs_cn2ce(ish,bra))
122 call intp_txyz(p_cent,p_geom,Ri,xyz_new_i)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
| H A D | intpd_2e2c.F | 68 integer Lp, p_prim, p_gen, p_iexp, p_icfp, p_cent local
122 p_cent = (sf_ibs_cn2ce(ish,bra))
124 if (p_cent.eq.q_cent) then
149 & coords(1,p_cent,p_geom), dbl_mb(mb_exndcf(p_iexp,bra)),
150 & dbl_mb(mb_exndcf(p_icfp,bra)), p_prim, p_gen, Lp, p_cent,
151 & coords(1,p_cent,p_geom), DCexp,
152 & DCcoeff , 1, 1, 0, p_cent,
162 call intd_sum2c(eri,mynint,idatom,p_cent,q_cent)
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| H A D | intpd_2e3c.F | 73 integer Lp, p_prim, p_gen, p_iexp, p_icfp, p_cent
125 p_cent = (sf_ibs_cn2ce(ish,bra))
129 if (p_cent.eq.c_cent.and.c_cent.eq.d_cent) then
140 call intp_txyz(p_cent,p_geom,Ri,xyz_new_i)
172 & p_cent,
174 & DCcoeff , 1, 1, 0, p_cent,
184 call intd_sum(eri,mynint,idatom,p_cent,p_cent,c_cent,d_cent)
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| H A D | int_2e3c.F | 85 integer Lp, p_prim, p_gen, p_iexp, p_icfp, p_cent
166 p_cent = (sf_ibs_cn2ce(ish,bra))
225 & brain,ish,coords(1,p_cent,p_geom),
226 & 0,coords(1,p_cent,p_geom),
282 & coords(1,p_cent,p_geom), dbl_mb(mb_exndcf(p_iexp,bra)),
284 & dbl_mb(mb_exndcf(p_icfp,bra)),p_prim,p_gen,Lp,p_cent,
285 & coords(1,p_cent,p_geom),DCexp,DCcoeff,
286 & DCcoeff,1,1,0,p_cent,
299 & coords(1,p_cent,p_geom), dbl_mb(mb_exndcf(p_iexp,bra)),
301 & coords(1,p_cent,p_geom), DCexp,
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| H A D | int_2e2c.F | 78 integer Lp, p_prim, p_gen, p_iexp, p_icfp, p_cent
145 p_cent = (sf_ibs_cn2ce(ish,bra))
172 & brain,ish,coords(1,p_cent,p_geom),
173 & 0,coords(1,p_cent,p_geom),
218 & coords(1,p_cent,p_geom), dbl_mb(mb_exndcf(p_iexp,bra)),
220 & coords(1,p_cent,p_geom), DCexp,
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| H A D | intp_2e2c.F | 62 integer Lp, p_prim, p_gen, p_iexp, p_icfp, p_cent
110 p_cent = (sf_ibs_cn2ce(ish,bra))
132 & coords(1,p_cent,p_geom), dbl_mb(mb_exndcf(p_iexp,bra)),
134 & coords(1,p_cent,p_geom), DCexp,
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| H A D | intp_2e3c.F | 67 integer Lp, p_prim, p_gen, p_iexp, p_icfp, p_cent
118 p_cent = (sf_ibs_cn2ce(ish,bra))
122 call intp_txyz(p_cent,p_geom,Ri,xyz_new_i)
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| /dports/audio/x42-plugins-lv2/x42-plugins-20211016/tuna.lv2/src/ |
| H A D | tuna.c | 174 float* p_cent;
481 self->p_cent = (float*)data; in fftx_power_at_bin()
610 *self->p_cent = 0;
942 *self->p_cent = cent;
944 *self->p_cent = self->cent_last;
948 *self->p_cent = cent;
997 self->ui_cent = *self->p_cent;
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| /dports/science/py-rmsd/rmsd-1.4/rmsd/ |
| H A D | calculate_rmsd.py | 1910 p_cent = centroid(p_coord)
1912 p_coord -= p_cent
2000 q_all += p_cent
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| /dports/audio/x42-plugins-lv2/x42-plugins-20211016/tuna.lv2/gui/ |
| H A D | tuna.c | 101 float p_cent; member
669 ui->strobe_phase += tdiff * ui->p_cent * 4; in expose_event()
1223 case TUNA_CENT: ui->p_cent = v; in port_event()
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