| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCWaveFunctions/tests/ |
| H A D | test_DiffTwoBodyJastrowOrbital.cpp | 41 ParticleSet elec; variable
51 ParticleSet elec; variable
72 ParticleSet elec; in get_two_species_particleset() local
96 ParticleSet elec = get_two_species_particleset(); variable
158 ParticleSet elec = get_two_species_particleset(); variable
223 ParticleSet elec = get_two_species_particleset(); variable
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| H A D | test_DiracDeterminantBatched.cpp | 78 ParticleSet elec; variable
136 ParticleSet elec; variable
264 ParticleSet elec; variable
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| H A D | test_pw.cpp | 39 ParticleSet& elec(*elec_uptr); variable
180 ParticleSet& elec(*elec_uptr); variable
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| H A D | test_cartesian_ao.cpp | 34 ParticleSet elec; in test_cartesian_ao() local
101 ParticleSet elec; in test_dirac_ao() local
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| H A D | test_soa_cusp_corr.cpp | 88 ParticleSet elec; variable
261 ParticleSet elec; variable
437 ParticleSet elec; variable
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| H A D | test_MO.cpp | 34 ParticleSet elec; in test_He() local
147 ParticleSet elec; in test_Ne() local
290 ParticleSet elec; in test_HCN() local
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCHamiltonians/tests/ |
| H A D | test_coulomb_pbcAA_ewald.cpp | 41 ParticleSet elec; variable
86 ParticleSet elec; variable
132 ParticleSet elec; variable
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| H A D | test_coulomb_pbcAA.cpp | 43 ParticleSet elec; variable
87 ParticleSet elec; variable
132 ParticleSet elec; variable
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| H A D | test_force_ewald.cpp | 45 ParticleSet elec; variable
138 ParticleSet elec; variable
241 ParticleSet elec; variable
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| H A D | test_force.cpp | 40 ParticleSet elec; variable
154 ParticleSet elec; variable
290 ParticleSet elec; variable
376 ParticleSet elec; variable
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| H A D | test_coulomb_CUDA.cpp | 46 ParticleSet elec; variable
110 MCWalkerConfiguration elec; variable
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| H A D | test_coulomb_pbcAB.cpp | 44 ParticleSet elec; variable
120 ParticleSet elec; variable
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| H A D | test_coulomb_pbcAB_ewald.cpp | 42 ParticleSet elec; variable
125 ParticleSet elec; variable
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| H A D | test_bare_kinetic.cpp | 38 ParticleSet elec; variable
119 ParticleSet elec; variable
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| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCDrivers/tests/ |
| H A D | test_drift.cpp | 27 MCWalkerConfiguration elec; variable
67 MCWalkerConfiguration elec; variable
106 MCWalkerConfiguration elec; variable
144 MCWalkerConfiguration elec; variable
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| H A D | test_vmc_driver.cpp | 47 MCWalkerConfiguration elec; variable
136 MCWalkerConfiguration elec; variable
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| H A D | test_dmc_driver.cpp | 47 MCWalkerConfiguration elec; variable
137 MCWalkerConfiguration elec; variable
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| H A D | test_dmc.cpp | 46 MCWalkerConfiguration elec; variable
141 MCWalkerConfiguration elec; variable
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/src/generic/ |
| H A D | nosh.c | 1379 NOsh_calc *elec = VNULL; in NOsh_setupElecCalc() local
1513 NOsh_calc *elec in NOsh_parseMG()
1749 NOsh_calc *elec in NOsh_setupCalcMGMANUAL()
1817 NOsh_calc *elec in NOsh_setupCalcMGAUTO()
2092 NOsh_calc *elec in NOsh_setupCalcMGPARA()
2388 NOsh_calc *elec in NOsh_parseFEM()
2511 NOsh_calc *elec in NOsh_parseAPOL()
2848 NOsh_calc *elec in NOsh_parseBEM()
2937 NOsh_calc *elec in NOsh_parseGEOFLOW()
3051 NOsh_calc *elec in NOsh_parsePBAM()
[all …]
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/doc/apbs/input/elec/ |
| H A D | index.rst | 1 .. _elec: target
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/dimqm/ |
| H A D | dim_1eelec.F | 11 subroutine dim_1eelec(i_basis,ish,j_basis,jsh,lscr,scr,lelec,elec, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
| H A D | int_1eelec.F | 29 subroutine int_1eelec(i_basis,ish,j_basis,jsh,lscr,scr,lelec,elec, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/dimqm/ |
| H A D | dim_1eelec.F | 11 subroutine dim_1eelec(i_basis,ish,j_basis,jsh,lscr,scr,lelec,elec, argument
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| /dports/science/berkeleygw/BGW-2.0.0/MeanField/ABINIT/ |
| H A D | read_abi.f90 | 104 type(abi_elec_type),intent(inout)::elec local
214 subroutine abi_read_kpt_elec_loop(hdr,basis,elec,iunit,pert_wfn) argument
217 type(abi_elec_type),intent(inout)::elec local
291 subroutine abi_allocate_elec(elec,hdr) argument
293 type(abi_elec_type),intent(inout)::elec local
305 subroutine abi_read_header(lcheck,extract,hdr,geom,elec,kpt,basis,iunit) argument
312 type(abi_elec_type),intent(inout)::elec local
337 subroutine abi_show_basic_variables(hdr,geom,elec) argument
341 type(abi_elec_type),intent(in)::elec local
380 subroutine abi_read_header_second(hdr,kpt,elec,basis,geom,extract,iunit) argument
[all …]
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| /dports/science/mbdyn/mbdyn-1.7.3/mbdyn/ |
| H A D | Makefile.am | 7 SUBDIRS = base struct aero elec hydr thermo subdir
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