| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/rdmft/recycling/wfn1/ |
| H A D | wfn1_nxt2_step.F | 10 subroutine wfn1_nxt2_step_dg(nea,neb,nbf,it,statein,fock,grad, argument
93 & + statein(wfn1_nxt_aocc()+(ii-1)+nbf*(ir-1))**2
94 & * statein(wfn1_nxt_aconf()+ir-1)
96 & + statein(wfn1_nxt_bocc()+(ii-1)+nbf*(ir-1))**2
97 & * statein(wfn1_nxt_bconf()+ir-1)
110 & statein(wfn1_nxt_aconf()))
151 & statein(wfn1_nxt_bconf()))
246 call dcopy(nbf,statein(wfn1_nxt_aconf()),1,
248 call dcopy(nbf,statein(wfn1_nxt_bconf()),1,
389 call dcopy(nbf,statein(wfn1_nxt_aconf()),1,
[all …]
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| H A D | wfn1_nxt2_step_excit.F | 86 if (statein(wfn1_nxt_aconf()+(ir-1)).le.0.0d0) then
107 call dcopy(nbf*nbf,statein(wfn1_nxt_aocc()),1,
111 & statein(wfn1_nxt_aocc()),nbf,
150 call dcopy(nbf*nbf,statein(wfn1_nxt_bocc()),1,
154 & statein(wfn1_nxt_bocc()),nbf,
182 call dcopy(nbf*nbf,statein(wfn1_nxt_anat()),1,
186 & statein(wfn1_nxt_anat()),nbf,
215 call dcopy(nbf*nbf,statein(wfn1_nxt_bnat()),1,
219 & statein(wfn1_nxt_bnat()),nbf,
229 call dcopy(nbf,statein(wfn1_nxt_aconf()),1,
[all …]
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| H A D | wfn1_nxt2_step_g.F | 11 subroutine wfn1_nxt2_step_g(nea,neb,nbf,it,statein,fock,grad, argument
24 double precision statein(8*nbf*nbf) !< [Input] The initial state
75 call dcopy(wfn1_nxt_size1(),statein,1,stateout,1)
81 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_aocc()),nbf,
88 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_bocc()),nbf,
95 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_anat()),nbf,
106 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_bnat()),nbf,
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| H A D | wfn1_nxt2_canon_occ.F | 19 subroutine wfn1_nxt2_canon_all(nbf,nea,neb,statein,fock,stateout) argument
91 & + statein(iocf+ii+ir*nbf)*statein(iocf+ii+ir*nbf)
92 & *statein(icnf+ir)
102 & + statein(iocf+ii+ir*nbf)*statein(iocf+ii+ir*nbf)
103 & *statein(icnf+ir)
109 call dcopy(wfn1_nxt_size1(),statein,1,stateout,1)
443 call dcopy(nbf ,statein(wfn1_nxt_aconf()),1,
448 call dcopy(nbf ,statein(wfn1_nxt_bconf()),1,
550 call dcopy(wfn1_nxt_size1(),statein,1,stateout,1)
714 call dcopy(nbf ,statein(wfn1_nxt_aconf()),1,
[all …]
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| H A D | wfn1_nxt2_step_r.F | 9 subroutine wfn1_nxt2_step_r(nea,neb,nbf,it,statein,fock,res, argument
22 double precision statein(8*nbf*nbf) !< [Input] The initial state
80 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_aocc()),nbf,
117 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_bocc()),nbf,
154 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_anat()),nbf,
192 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_bnat()),nbf,
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/rdmft/recycling/wfn1/ |
| H A D | wfn1_nxt2_step.F | 10 subroutine wfn1_nxt2_step_dg(nea,neb,nbf,it,statein,fock,grad, argument
93 & + statein(wfn1_nxt_aocc()+(ii-1)+nbf*(ir-1))**2
94 & * statein(wfn1_nxt_aconf()+ir-1)
96 & + statein(wfn1_nxt_bocc()+(ii-1)+nbf*(ir-1))**2
97 & * statein(wfn1_nxt_bconf()+ir-1)
110 & statein(wfn1_nxt_aconf()))
151 & statein(wfn1_nxt_bconf()))
246 call dcopy(nbf,statein(wfn1_nxt_aconf()),1,
248 call dcopy(nbf,statein(wfn1_nxt_bconf()),1,
389 call dcopy(nbf,statein(wfn1_nxt_aconf()),1,
[all …]
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| H A D | wfn1_nxt2_step_excit.F | 86 if (statein(wfn1_nxt_aconf()+(ir-1)).le.0.0d0) then
107 call dcopy(nbf*nbf,statein(wfn1_nxt_aocc()),1,
111 & statein(wfn1_nxt_aocc()),nbf,
150 call dcopy(nbf*nbf,statein(wfn1_nxt_bocc()),1,
154 & statein(wfn1_nxt_bocc()),nbf,
182 call dcopy(nbf*nbf,statein(wfn1_nxt_anat()),1,
186 & statein(wfn1_nxt_anat()),nbf,
215 call dcopy(nbf*nbf,statein(wfn1_nxt_bnat()),1,
219 & statein(wfn1_nxt_bnat()),nbf,
229 call dcopy(nbf,statein(wfn1_nxt_aconf()),1,
[all …]
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| H A D | wfn1_nxt2_step_g.F | 11 subroutine wfn1_nxt2_step_g(nea,neb,nbf,it,statein,fock,grad, argument
24 double precision statein(8*nbf*nbf) !< [Input] The initial state
75 call dcopy(wfn1_nxt_size1(),statein,1,stateout,1)
81 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_aocc()),nbf,
88 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_bocc()),nbf,
95 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_anat()),nbf,
106 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_bnat()),nbf,
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| H A D | wfn1_nxt2_canon_occ.F | 19 subroutine wfn1_nxt2_canon_all(nbf,nea,neb,statein,fock,stateout) argument
91 & + statein(iocf+ii+ir*nbf)*statein(iocf+ii+ir*nbf)
92 & *statein(icnf+ir)
102 & + statein(iocf+ii+ir*nbf)*statein(iocf+ii+ir*nbf)
103 & *statein(icnf+ir)
109 call dcopy(wfn1_nxt_size1(),statein,1,stateout,1)
443 call dcopy(nbf ,statein(wfn1_nxt_aconf()),1,
448 call dcopy(nbf ,statein(wfn1_nxt_bconf()),1,
550 call dcopy(wfn1_nxt_size1(),statein,1,stateout,1)
714 call dcopy(nbf ,statein(wfn1_nxt_aconf()),1,
[all …]
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| H A D | wfn1_nxt2_step_r.F | 9 subroutine wfn1_nxt2_step_r(nea,neb,nbf,it,statein,fock,res, argument
22 double precision statein(8*nbf*nbf) !< [Input] The initial state
80 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_aocc()),nbf,
117 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_bocc()),nbf,
154 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_anat()),nbf,
192 call dgemm('n','n',nbf,nbf,nbf,1.0d0,statein(wfn1_nxt_bnat()),nbf,
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| /dports/science/mpqc/mpqc-2.3.1/src/lib/util/state/ |
| H A D | statetest.in | 34 statein<StateInBin>: (
38 statein = $..:statein
53 statein = $..:statein
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| H A D | proxy.cc | 19 Ref<StateIn> statein; statein << keyval->describedclassvalue("statein"); in SavableStateProxy() local
20 if (statein.nonnull()) { in SavableStateProxy()
22 StateIn &si = *(statein.pointer()); in SavableStateProxy()
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| H A D | Makefile | 35 CXXSRC = state.cc statein.cc stateout.cc state_bin.cc proxy.cc \
43 INC = LIBS.h state.h statein.h stateout.h \
|
| /dports/security/liboqs/liboqs-0.7.0/src/sig/picnic/external/ |
| H A D | picnic3_simulate.c | 39 AND(a, bitmask_a, statein); \
41 AND(b, bitmask_b, statein); \
43 AND(c, bitmask_c, statein); \
162 static void picnic3_mpc_sbox_uint64_lowmc_129_129_4(mzd_local_t* statein, randomTape_t* tapes,
172 static void picnic3_mpc_sbox_uint64_lowmc_192_192_4(mzd_local_t* statein, randomTape_t* tapes,
182 static void picnic3_mpc_sbox_uint64_lowmc_255_255_4(mzd_local_t* statein, randomTape_t* tapes,
341 static void picnic3_mpc_sbox_s128_lowmc_129_129_4(mzd_local_t* statein, randomTape_t* tapes,
351 static void picnic3_mpc_sbox_s128_lowmc_192_192_4(mzd_local_t* statein, randomTape_t* tapes,
361 static void picnic3_mpc_sbox_s128_lowmc_255_255_4(mzd_local_t* statein, randomTape_t* tapes,
522 static void picnic3_mpc_sbox_s256_lowmc_129_129_4(mzd_local_t* statein, randomTape_t* tapes,
[all …]
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| H A D | lowmc.c | 330 AND(a, bitmask_a, statein); \
332 AND(b, bitmask_b, statein); \
391 static void sbox_aux_uint64_lowmc_129_129_4(mzd_local_t* statein, mzd_local_t* stateout,
399 static void sbox_aux_uint64_lowmc_192_192_4(mzd_local_t* statein, mzd_local_t* stateout,
407 static void sbox_aux_uint64_lowmc_255_255_4(mzd_local_t* statein, mzd_local_t* stateout,
524 static void sbox_aux_s128_lowmc_129_129_4(mzd_local_t* statein, mzd_local_t* stateout,
533 static void sbox_aux_s128_lowmc_192_192_4(mzd_local_t* statein, mzd_local_t* stateout,
542 static void sbox_aux_s128_lowmc_255_255_4(mzd_local_t* statein, mzd_local_t* stateout,
654 static void sbox_aux_s256_lowmc_129_129_4(mzd_local_t* statein, mzd_local_t* stateout,
663 static void sbox_aux_s256_lowmc_192_192_4(mzd_local_t* statein, mzd_local_t* stateout,
[all …]
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| /dports/devel/boost-docs/boost_1_72_0/boost/numeric/odeint/stepper/ |
| H A D | velocity_verlet.hpp | 193 state_in_type & statein = x; in do_step_v1() local
194 coor_in_type & qinout = statein.first; in do_step_v1()
195 momentum_in_type & pinout = statein.second; in do_step_v1()
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| /dports/devel/hyperscan/boost_1_75_0/boost/numeric/odeint/stepper/ |
| H A D | velocity_verlet.hpp | 193 state_in_type & statein = x; in do_step_v1() local
194 coor_in_type & qinout = statein.first; in do_step_v1()
195 momentum_in_type & pinout = statein.second; in do_step_v1()
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| /dports/devel/boost-python-libs/boost_1_72_0/boost/numeric/odeint/stepper/ |
| H A D | velocity_verlet.hpp | 193 state_in_type & statein = x; in do_step_v1() local
194 coor_in_type & qinout = statein.first; in do_step_v1()
195 momentum_in_type & pinout = statein.second; in do_step_v1()
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| /dports/devel/R-cran-BH/BH/inst/include/boost/numeric/odeint/stepper/ |
| H A D | velocity_verlet.hpp | 193 state_in_type & statein = x; in do_step_v1() local
194 coor_in_type & qinout = statein.first; in do_step_v1()
195 momentum_in_type & pinout = statein.second; in do_step_v1()
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| /dports/databases/percona57-pam-for-mysql/boost_1_59_0/boost/numeric/odeint/stepper/ |
| H A D | velocity_verlet.hpp | 193 state_in_type & statein = x; in do_step_v1() local
194 coor_in_type & qinout = statein.first; in do_step_v1()
195 momentum_in_type & pinout = statein.second; in do_step_v1()
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| /dports/math/stanmath/math-4.2.0/lib/boost_1.75.0/boost/numeric/odeint/stepper/ |
| H A D | velocity_verlet.hpp | 193 state_in_type & statein = x; in do_step_v1() local
194 coor_in_type & qinout = statein.first; in do_step_v1()
195 momentum_in_type & pinout = statein.second; in do_step_v1()
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| /dports/science/py-scipy/scipy-1.7.1/scipy/_lib/boost/boost/numeric/odeint/stepper/ |
| H A D | velocity_verlet.hpp | 193 state_in_type & statein = x; in do_step_v1() local
194 coor_in_type & qinout = statein.first; in do_step_v1()
195 momentum_in_type & pinout = statein.second; in do_step_v1()
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| /dports/databases/percona57-server/boost_1_59_0/boost/numeric/odeint/stepper/ |
| H A D | velocity_verlet.hpp | 193 state_in_type & statein = x; in do_step_v1() local
194 coor_in_type & qinout = statein.first; in do_step_v1()
195 momentum_in_type & pinout = statein.second; in do_step_v1()
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| /dports/databases/xtrabackup/boost_1_59_0/boost/numeric/odeint/stepper/ |
| H A D | velocity_verlet.hpp | 193 state_in_type & statein = x; in do_step_v1() local
194 coor_in_type & qinout = statein.first; in do_step_v1()
195 momentum_in_type & pinout = statein.second; in do_step_v1()
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| /dports/math/deal.ii/dealii-803d21ff957e349b3799cd3ef2c840bc78734305/bundled/boost-1.70.0/include/boost/numeric/odeint/stepper/ |
| H A D | velocity_verlet.hpp | 193 state_in_type & statein = x; in do_step_v1() local
194 coor_in_type & qinout = statein.first; in do_step_v1()
195 momentum_in_type & pinout = statein.second; in do_step_v1()
|