| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_oce_methods.F | 84 jc, jset, lds, lm, lpoint, lprj, lsgfb, lsgfb_cnt, lshell, lx, ly, lz, m, m1, maxcob, & local
124 maxco=maxcob, maxl=maxlb)
142 msab = MAX(maxnprja*ncoset(maxlprj), maxcob)
148 ALLOCATE (ovs(np_sph, maxcob*nsetb*maxder))
198 isp = (ider - 1)*maxcob*nsetb
224 is = maxcob*(ider - 1)
225 isp = (ider - 1)*maxcob*nsetb
235 first_col = (ider - 1)*maxcob*nsetb + 1 + m1
255 m1 = m1 + maxcob
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| H A D | generic_os_integrals.F | 156 maxco, maxcoa, maxcob, maxl, maxla, & local
191 CALL get_gto_basis_set(fbb, maxco=maxcob, maxl=maxlb)
192 maxco = MAX(maxcoa, maxcob)
282 maxcoa, maxcob, maxl, maxla, maxlb, & local
323 CALL get_gto_basis_set(fbb, maxco=maxcob, maxl=maxlb)
324 maxco = MAX(maxcoa, maxcob)
410 maxcoa, maxcob, maxl, maxla, maxlb, & local
446 CALL get_gto_basis_set(fbb, maxco=maxcob, maxl=maxlb)
447 maxco = MAX(maxcoa, maxcob)
878 CALL get_gto_basis_set(obb, maxco=maxcob, maxl=maxlb)
[all …]
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| H A D | xas_methods.F | 1415 … INTEGER :: iset, jset, ldsab, maxcoa, maxcob, maxl, & local
1439 maxco=maxcob, nset=nsetb, maxl=maxlb)
1444 ldsab = MAX(maxcoa, maxcob, nsgfa, nsgfb)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_oce_methods.F | 89 jc, jset, lds, lm, lpoint, lprj, lsgfb, lsgfb_cnt, lshell, lx, ly, lz, m, m1, maxcob, & local
129 maxco=maxcob, maxl=maxlb)
147 msab = MAX(maxnprja*ncoset(maxlprj), maxcob)
153 ALLOCATE (ovs(np_sph, maxcob*nsetb*maxder))
203 isp = (ider - 1)*maxcob*nsetb
226 is = maxcob*(ider - 1)
227 isp = (ider - 1)*maxcob*nsetb
237 first_col = (ider - 1)*maxcob*nsetb + 1 + m1
250 m1 = m1 + maxcob
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| H A D | generic_os_integrals.F | 156 maxco, maxcoa, maxcob, maxl, maxla, & local
191 CALL get_gto_basis_set(fbb, maxco=maxcob, maxl=maxlb)
192 maxco = MAX(maxcoa, maxcob)
282 maxcoa, maxcob, maxl, maxla, maxlb, & local
323 CALL get_gto_basis_set(fbb, maxco=maxcob, maxl=maxlb)
324 maxco = MAX(maxcoa, maxcob)
410 maxcoa, maxcob, maxl, maxla, maxlb, & local
446 CALL get_gto_basis_set(fbb, maxco=maxcob, maxl=maxlb)
447 maxco = MAX(maxcoa, maxcob)
878 CALL get_gto_basis_set(obb, maxco=maxcob, maxl=maxlb)
[all …]
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| H A D | xas_methods.F | 1415 … INTEGER :: iset, jset, ldsab, maxcoa, maxcob, maxl, & local
1439 maxco=maxcob, nset=nsetb, maxl=maxlb)
1444 ldsab = MAX(maxcoa, maxcob, nsgfa, nsgfb)
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