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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/property/
H A Daoresponse_giao_rhs.F111 ahi(1) = nbf
112 ahi(2) = nocc
113 ahi(3) = 3
128 ahi(1) = nmo
130 ahi(3) = 3
141 ahi(2) = nocc
163 ahi(1) = nocc
165 call nga_copy_patch('n',g_smat1,alo,ahi,g_u,alo,ahi)
171 call nga_copy_patch('n',g_smat1,alo,ahi,g_amat(ipm),alo,ahi)
431 ahi(3) = 3
[all …]
H A Dhnd_sdfc.F76 ahi(1) = nbf
99 ahi(1) = nbf
100 ahi(2) = nbf
127 ahi(1) = nbf
129 ahi(2) = nbf
143 ahi(3) = ahi(3)+1
175 ahi(1) = nmo
231 ahi(1) = nmo
255 ahi(1) = nbf
256 ahi(2) = nbf
[all …]
H A Dhnd_psoten.F63 ahi(1) = nbf
86 ahi(1) = nbf
87 ahi(2) = nbf
121 ahi(1) = nmo
175 ahi(1) = nmo
199 ahi(1) = nbf
200 ahi(2) = nbf
266 ahi(1) = nbf
267 ahi(2) = nbf
279 ahi(1) = nbf
[all …]
H A Dgiao_b1_movecs_tools.F52 ahi(1) = nbf
53 ahi(2) = nbf
85 ahi(1) = nmo
188 ahi(2) = nbf
190 ahi(3) = nbf
323 ahi(1) = nbf
324 ahi(2) = nbf
325 ahi(3) = 1
365 & alo(1),ahi(1),alo(2),ahi(2),
388 ahi(3) = 1
[all …]
H A Dhnd_gshift_zora.F1654 write(*,16) alo(1),ahi(1),alo(2),ahi(2),
2175 & alo(1),ahi(1),alo(2),ahi(2),
2344 & alo(1),ahi(1),alo(2),ahi(2),
2480 & alo(1),ahi(1),alo(2),ahi(2),
2813 & alo(1),ahi(1),alo(2),ahi(2),
2882 & alo(1),ahi(1),alo(2),ahi(2),
2969 & alo(1),ahi(1),alo(2),ahi(2),
3321 & alo(1),ahi(1),alo(2),ahi(2),
3390 & alo(1),ahi(1),alo(2),ahi(2),
3436 & alo(1),ahi(1),alo(2),ahi(2),
[all …]
H A Dhnd_giaox.F148 ahi(1) = nbf
150 ahi(3) = 3
177 ahi(1) = nbf
179 ahi(3) = 3
193 ahi(3) = 3
220 call nga_copy_patch('n',g_s10,alo,ahi,g_u,alo,ahi)
400 ahi(3) = 3
421 ahi(3) = 3
471 ahi(3) = 3
548 ahi(3) = 3
[all …]
H A Dget_vecB1.F58 ahi(1) = nbf
60 ahi(3) = 1
65 ahi(1) = nmo
69 ahi(3) = 1
181 ahi(1) = nmo
183 ahi(3) = 1
188 ahi(1) = nmo
192 ahi(3) = 1
314 ahi(1) = nbf
315 ahi(2) = nbf
[all …]
H A Dget_vecF1.F48 ahi(1) = nbf
49 ahi(2) = nbf
50 ahi(3) = ndir
73 ahi(1) = nbf
75 ahi(3) = 1
80 ahi(1) = nmo
200 ahi(1) = nbf
201 ahi(2) = nbf
202 ahi(3) = ndir
274 ahi(1) = nbf
[all …]
H A Dget_alfaorbeta_reim.F237 ahi(1) = nbf
239 ahi(2) = nbf
254 write(*,18) alo(1),ahi(1),alo(2),ahi(2),
279 ahi(2) = nbf
292 write(*,19) alo(1),ahi(1),alo(2),ahi(2),
401 ahi(1) = nbf
418 write(*,18) alo(1),ahi(1),alo(2),ahi(2),
456 write(*,19) alo(1),ahi(1),alo(2),ahi(2),
543 ahi(1) = nbf
545 ahi(3) = idir
[all …]
H A Daoresponse_beta.F311 ahi(1) = nbf
313 ahi(2) = nbf
315 ahi(3) = 3
336 ahi(1) = nmo
340 ahi(3) = 3
360 ahi(1) = nbf
362 ahi(2) = nbf
364 ahi(3) = 3
376 ahi(1) = nmo
380 ahi(3) = 3
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/property/
H A Daoresponse_giao_rhs.F111 ahi(1) = nbf
112 ahi(2) = nocc
113 ahi(3) = 3
128 ahi(1) = nmo
130 ahi(3) = 3
141 ahi(2) = nocc
163 ahi(1) = nocc
165 call nga_copy_patch('n',g_smat1,alo,ahi,g_u,alo,ahi)
171 call nga_copy_patch('n',g_smat1,alo,ahi,g_amat(ipm),alo,ahi)
431 ahi(3) = 3
[all …]
H A Dhnd_sdfc.F76 ahi(1) = nbf
99 ahi(1) = nbf
100 ahi(2) = nbf
127 ahi(1) = nbf
129 ahi(2) = nbf
143 ahi(3) = ahi(3)+1
175 ahi(1) = nmo
231 ahi(1) = nmo
255 ahi(1) = nbf
256 ahi(2) = nbf
[all …]
H A Dhnd_psoten.F63 ahi(1) = nbf
86 ahi(1) = nbf
87 ahi(2) = nbf
121 ahi(1) = nmo
175 ahi(1) = nmo
199 ahi(1) = nbf
200 ahi(2) = nbf
266 ahi(1) = nbf
267 ahi(2) = nbf
279 ahi(1) = nbf
[all …]
H A Dgiao_b1_movecs_tools.F52 ahi(1) = nbf
53 ahi(2) = nbf
85 ahi(1) = nmo
188 ahi(2) = nbf
190 ahi(3) = nbf
323 ahi(1) = nbf
324 ahi(2) = nbf
325 ahi(3) = 1
365 & alo(1),ahi(1),alo(2),ahi(2),
388 ahi(3) = 1
[all …]
H A Dhnd_gshift_zora.F1654 write(*,16) alo(1),ahi(1),alo(2),ahi(2),
2175 & alo(1),ahi(1),alo(2),ahi(2),
2344 & alo(1),ahi(1),alo(2),ahi(2),
2480 & alo(1),ahi(1),alo(2),ahi(2),
2813 & alo(1),ahi(1),alo(2),ahi(2),
2882 & alo(1),ahi(1),alo(2),ahi(2),
2969 & alo(1),ahi(1),alo(2),ahi(2),
3321 & alo(1),ahi(1),alo(2),ahi(2),
3390 & alo(1),ahi(1),alo(2),ahi(2),
3436 & alo(1),ahi(1),alo(2),ahi(2),
[all …]
H A Dhnd_giaox.F148 ahi(1) = nbf
150 ahi(3) = 3
177 ahi(1) = nbf
179 ahi(3) = 3
193 ahi(3) = 3
220 call nga_copy_patch('n',g_s10,alo,ahi,g_u,alo,ahi)
400 ahi(3) = 3
421 ahi(3) = 3
471 ahi(3) = 3
548 ahi(3) = 3
[all …]
H A Dget_vecB1.F58 ahi(1) = nbf
60 ahi(3) = 1
65 ahi(1) = nmo
69 ahi(3) = 1
181 ahi(1) = nmo
183 ahi(3) = 1
188 ahi(1) = nmo
192 ahi(3) = 1
314 ahi(1) = nbf
315 ahi(2) = nbf
[all …]
H A Dget_vecF1.F48 ahi(1) = nbf
49 ahi(2) = nbf
50 ahi(3) = ndir
73 ahi(1) = nbf
75 ahi(3) = 1
80 ahi(1) = nmo
200 ahi(1) = nbf
201 ahi(2) = nbf
202 ahi(3) = ndir
274 ahi(1) = nbf
[all …]
H A Dget_alfaorbeta_reim.F237 ahi(1) = nbf
239 ahi(2) = nbf
254 write(*,18) alo(1),ahi(1),alo(2),ahi(2),
279 ahi(2) = nbf
292 write(*,19) alo(1),ahi(1),alo(2),ahi(2),
401 ahi(1) = nbf
418 write(*,18) alo(1),ahi(1),alo(2),ahi(2),
456 write(*,19) alo(1),ahi(1),alo(2),ahi(2),
543 ahi(1) = nbf
545 ahi(3) = idir
[all …]
H A Daoresponse_beta.F311 ahi(1) = nbf
313 ahi(2) = nbf
315 ahi(3) = 3
336 ahi(1) = nmo
340 ahi(3) = 3
360 ahi(1) = nbf
362 ahi(2) = nbf
364 ahi(3) = 3
376 ahi(1) = nmo
380 ahi(3) = 3
[all …]
/dports/devel/radare2/radare2-5.1.1/test/db/cmd/
H A Dcmd_ahi6 ahi s
23 ahi s
56 ahi 10
73 ahi s
90 ahi 2
107 ahi 2
163 ahi 8
177 ahi 2
191 ahi 2
205 ahi 2
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/lr_tddft_grad/
H A Dtddft_grad_compute_energy.F144 ahi(1) = nroot*ipol
145 ahi(2) = nao
146 ahi(3) = nao
152 call nga_add_patch(0.5d0,g_x,alo,ahi,0.5d0,g_y,alo,ahi,g_x,
154 call nga_add_patch(1.0d0,g_x,alo,ahi,-1.0d0,g_y,alo,ahi,g_y,
190 call nga_add_patch(1.0d0,g_apbx,alo,ahi, 1.0d0,g_apby,alo,ahi,
192 call nga_add_patch(1.0d0,g_ambx,alo,ahi,-1.0d0,g_amby,alo,ahi,
230 ahi(1) = ir
234 ahi(3) = nav(ip)
257 ahi(1) = ir
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/lr_tddft_grad/
H A Dtddft_grad_compute_energy.F144 ahi(1) = nroot*ipol
145 ahi(2) = nao
146 ahi(3) = nao
152 call nga_add_patch(0.5d0,g_x,alo,ahi,0.5d0,g_y,alo,ahi,g_x,
154 call nga_add_patch(1.0d0,g_x,alo,ahi,-1.0d0,g_y,alo,ahi,g_y,
190 call nga_add_patch(1.0d0,g_apbx,alo,ahi, 1.0d0,g_apby,alo,ahi,
192 call nga_add_patch(1.0d0,g_ambx,alo,ahi,-1.0d0,g_amby,alo,ahi,
230 ahi(1) = ir
234 ahi(3) = nav(ip)
257 ahi(1) = ir
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/hessian/analytic/
H A Duhf_fock_finish.F135 ahi(1) = noffset*4
137 ahi(2) = nbf
139 ahi(3) = nbf
148 ahi(1) = noffset
175 ahi(1) = noffset
188 ahi(1) = nfock
190 & g_fock2,alo,ahi)
195 ahi(1) = nfock
203 ahi(1) = noffset*4
224 ahi(1)=i
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/hessian/analytic/
H A Duhf_fock_finish.F135 ahi(1) = noffset*4
137 ahi(2) = nbf
139 ahi(3) = nbf
148 ahi(1) = noffset
175 ahi(1) = noffset
188 ahi(1) = nfock
190 & g_fock2,alo,ahi)
195 ahi(1) = nfock
203 ahi(1) = noffset*4
224 ahi(1)=i
[all …]

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