/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mp2_ri_grad_util.F | 1210 j_local, jjB, jjj, kkB, mypcol, myprow, ncol_block, ncol_local, npcol, nprow, nrow_block, & local 1427 DO kkB = 1, my_group_L_size 1460 fm_ia%local_data(i_local, j_local) = Gamma_2D(iaia - my_ia_start + 1, kkB) 1465 buffer_send(send_counter)%msg(iii) = Gamma_2D(iaia - my_ia_start + 1, kkB) 1502 ALLOCATE (mp2_env%ri_grad%G_P_ia(kkB)%matrix) 1503 CALL cp_dbcsr_m_by_n_from_template(mp2_env%ri_grad%G_P_ia(kkB)%matrix, & 1506 CALL copy_fm_to_dbcsr(fm_ia, mp2_env%ri_grad%G_P_ia(kkB)%matrix, keep_sparsity=.FALSE.) 1508 ALLOCATE (mp2_env%ri_grad%G_P_ia_beta(kkB)%matrix) 1509 CALL cp_dbcsr_m_by_n_from_template(mp2_env%ri_grad%G_P_ia_beta(kkB)%matrix, & 1512 … CALL copy_fm_to_dbcsr(fm_ia, mp2_env%ri_grad%G_P_ia_beta(kkB)%matrix, keep_sparsity=.FALSE.)
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H A D | rpa_communication.F | 856 DO kkB = 1, my_group_L_size 890 Gamma_2D(iaia - my_ia_start + 1, kkB) 897 Gamma_2D(iaia - my_ia_start + 1, kkB) 933 ALLOCATE (dbcsr_Gamma_3(kkB)%matrix) 934 CALL cp_dbcsr_m_by_n_from_template(dbcsr_Gamma_3(kkB)%matrix, & 937 CALL copy_fm_to_dbcsr(fm_ia, dbcsr_Gamma_3(kkB)%matrix, keep_sparsity=.FALSE.)
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H A D | mp2_ri_libint.F | 437 jatom_end, jatom_start, jjB, jkind, jset, katom, katom_end, katom_start, kkB, kkind, & local 656 DO kkB = 1, nsgfc(kset) 660 L_block(iiB, kkB) = primitive_integrals(primitive_counter) 892 DO kkB = 1, nsgfc(kset) 896 MNRS(llB, kkB, iiB) = primitive_integrals(primitive_counter)
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H A D | mp2_direct_method.F | 121 katom, katom_end, katom_start, kkB, kkind, kset, latom, latom_end, latom_start, lkind, & local 545 DO kkB = 1, nsgfc(kset) 549 MNRS(llB, kkB, jjB, iiB) = primitive_integrals(primitive_counter)
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H A D | mp2_ri_gpw.F | 2982 DO kkB = 1, my_homo 2986 ijk_map(ijk_counter, 3) = kkB 3018 DO kkB = 1, homo 3022 ijk_map_beta(ijk_counter, 3) = kkB
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | mp2_ri_grad_util.F | 1210 j_local, jjB, jjj, kkB, mypcol, myprow, ncol_block, ncol_local, npcol, nprow, nrow_block, & local 1427 DO kkB = 1, my_group_L_size 1460 fm_ia%local_data(i_local, j_local) = Gamma_2D(iaia - my_ia_start + 1, kkB) 1465 buffer_send(send_counter)%msg(iii) = Gamma_2D(iaia - my_ia_start + 1, kkB) 1502 ALLOCATE (mp2_env%ri_grad%G_P_ia(kkB)%matrix) 1503 CALL cp_dbcsr_m_by_n_from_template(mp2_env%ri_grad%G_P_ia(kkB)%matrix, & 1506 CALL copy_fm_to_dbcsr(fm_ia, mp2_env%ri_grad%G_P_ia(kkB)%matrix, keep_sparsity=.FALSE.) 1508 ALLOCATE (mp2_env%ri_grad%G_P_ia_beta(kkB)%matrix) 1509 CALL cp_dbcsr_m_by_n_from_template(mp2_env%ri_grad%G_P_ia_beta(kkB)%matrix, & 1512 … CALL copy_fm_to_dbcsr(fm_ia, mp2_env%ri_grad%G_P_ia_beta(kkB)%matrix, keep_sparsity=.FALSE.)
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H A D | rpa_communication.F | 856 DO kkB = 1, my_group_L_size 890 Gamma_2D(iaia - my_ia_start + 1, kkB) 897 Gamma_2D(iaia - my_ia_start + 1, kkB) 933 ALLOCATE (dbcsr_Gamma_3(kkB)%matrix) 934 CALL cp_dbcsr_m_by_n_from_template(dbcsr_Gamma_3(kkB)%matrix, & 937 CALL copy_fm_to_dbcsr(fm_ia, dbcsr_Gamma_3(kkB)%matrix, keep_sparsity=.FALSE.)
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H A D | mp2_ri_libint.F | 437 jatom_end, jatom_start, jjB, jkind, jset, katom, katom_end, katom_start, kkB, kkind, & local 656 DO kkB = 1, nsgfc(kset) 660 L_block(iiB, kkB) = primitive_integrals(primitive_counter) 892 DO kkB = 1, nsgfc(kset) 896 MNRS(llB, kkB, iiB) = primitive_integrals(primitive_counter)
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H A D | mp2_direct_method.F | 121 katom, katom_end, katom_start, kkB, kkind, kset, latom, latom_end, latom_start, lkind, & local 545 DO kkB = 1, nsgfc(kset) 549 MNRS(llB, kkB, jjB, iiB) = primitive_integrals(primitive_counter)
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H A D | mp2_ri_gpw.F | 2982 DO kkB = 1, my_homo 2986 ijk_map(ijk_counter, 3) = kkB 3018 DO kkB = 1, homo 3022 ijk_map_beta(ijk_counter, 3) = kkB
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/dports/lang/perl5.32/perl-5.32.1/cpan/CPAN/ |
H A D | PAUSE2007.pub | 42 /17sYlcAydJOWv/dsjcaKd+QAy3JmYkZdCeyznF76tLAM/7NMeAvdA2a3qLE+kkB
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/dports/lang/perl5.34/perl-5.34.0/cpan/CPAN/ |
H A D | PAUSE2007.pub | 42 /17sYlcAydJOWv/dsjcaKd+QAy3JmYkZdCeyznF76tLAM/7NMeAvdA2a3qLE+kkB
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/dports/lang/perl5.30/perl-5.30.3/cpan/CPAN/ |
H A D | PAUSE2007.pub | 42 /17sYlcAydJOWv/dsjcaKd+QAy3JmYkZdCeyznF76tLAM/7NMeAvdA2a3qLE+kkB
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/dports/lang/perl5-devel/perl5-5.35.4-102-ge43d289c7c/cpan/CPAN/ |
H A D | PAUSE2007.pub | 42 /17sYlcAydJOWv/dsjcaKd+QAy3JmYkZdCeyznF76tLAM/7NMeAvdA2a3qLE+kkB
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/dports/devel/sgb/sgb-20090810_1/ |
H A D | lisa.dat | 338 DJ$--DlRH1G,JB&G@wjnJwZP$Lsm!YE!d9;N#Zmea:H.kkB*U^jfjecg*rJpjgFF@laP@_fpTYd
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/dports/comms/uhd/uhd-90ce6062b6b5df2eddeee723777be85108e4e7c7/fpga/usrp3/top/b200/planahead/planahead.runs/impl_1/ |
H A D | b200.ncd | 3 …lxQVd3QnmaRKjn9jlPJ6fOBxtm2IK/vGE4/6tS6jbsXBkgt1KTOU+ASKEmaS4JlLyZB2YTnWQg/kkB+wSe9u2NCe0HfRkCEF31…
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/dports/www/element-web/element-v1.9.8/bundles/fe56de007a54db37c626/ |
H A D | vendors~init.js.map | 1 …kkB,KAAKsL,IAAIzV,EAAEkvkB,KAAKtqf,EAAExiF,IAAIpC,EAAEmvkB,KAAKhlkB,KAAKsL,IAAIzV,EAAEmvkB,KAAKvqf…
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/dports/biology/bbmap/bbmap/resources/ |
H A D | blacklist_nt_merged.sketch | 40615 5kkB`=7o
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/dports/science/smoldyn/smoldyn-2.67/examples/S94_archive/Andrews_2016/excluded volume/ |
H A D | ExcludedVolme.nb | 62588 8e3DSTI6HlUsGkmdB1+i30b7axwknclZPft5GD4JV3gbYjuB0ChbBy0+kkB+
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/dports/security/hashcat-legacy/hashcat-legacy-2.00/salts/ |
H A D | brute-vbulletin.salt | 684035 kkB
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/dports/www/grafana8/grafana-8.3.6/public/build/ |
H A D | 2201.0e38943fa459e872fe93.js.map | 1 …EAAI,EAAGqvB,GAAS+0iB,EAAUpkkB,IAAK,CACvC,IAAIuF,EAAOq/jB,GAAOK,EAAWF,EAAS/kkB,EAAGklkB,EAAYJ,EAAS…
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/dports/databases/py-mysql-connector-python/mysql-connector-python-8.0.27/tests/data/ |
H A D | random_big_bin.csv | 41217 ��a� r�f� U���h?���+Ҿ��D$kkB���j�-g�tT�%G���o��
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/dports/math/py-heyoka/heyoka.py-0.16.0/doc/notebooks/ |
H A D | tides_spokes.ipynb | 311582 "y6L42MIlO8oMz0Arv3Q9Bao3wdoX055EeayQ47lezp6J3o2yP/4Rpkyh+NOfZvjChXzkj3/kkB/8\\\n",
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