/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/pelib/src/ |
H A D | pelib.F90 | 313 M5s(:,idxs(i)) = 0.0 367 M5s(:,idx) = M5s(:,idx) + M5s(:,idxs(i)) / real(nredist, rp) 421 M5s(:,jdx) = M5s(:,jdx) + M5s(:,idxs(i)) / real(nredist, rp) 476 M5s(:,kdx) = M5s(:,kdx) + M5s(:,idxs(i)) / real(nredist, rp) 502 M5s(:,idxs(i)) = 0.0 619 write(luout, fd) elems(i), i, M5s(:,i) 660 M5s(:,idxs(i)) = 0.0 732 if (allocated(M5s)) deallocate(M5s) 1343 allocate(M5s(21,nsites)) 1344 M5s = 0.0 [all …]
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H A D | pelib_operators.F90 | 557 if (maxval(abs(M5s(:,site))) >= zero) then 655 if (maxval(abs(M5s(:,site))) >= zero) then 656 ncomps = size(M5s(:,site), 1) 664 Ees(2,1) = Ees(2,1) + factors(j) * M5s(j,site) * Tsm(j) * Zm(1,i) 760 if (maxval(abs(M5s(:,i))) >= zero .and. maxval(abs(M5s(:,j))) >= zero) then 781 call multipole_interaction_energy(tmp_energy, M5s(:,i), Rij, M5s(:,j)) 1635 if (maxval(abs(M5s(:,site))) >= zero) then 1636 call multipole_derivative(mul_grad, Rsm, M5s(:,site)) 1672 if (maxval(abs(M5s(:,site))) >= zero) then 1673 call Mk_integrals('molecular_gradient', Mk_ints, Rs(:,site), M5s(:,site)) [all …]
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H A D | pelib_potential_derivatives.F90 | 450 if (maxval(abs(M5s(:,j))) >= zero) then 451 call multipole_derivative(Fi, Rji, M5s(:,j)) 595 if (maxval(abs(M5s(:,j))) >= zero) then 599 call multipole_derivative(Fi, Rji, M5s(:,j))
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H A D | pelib_mpi.F90 | 234 if (myid /= master .and. .not. allocated(M5s)) allocate(M5s(21,nsites)) 235 call mpi_bcast(M5s(1,1), 21 * nsites, rmpi, master, comm, ierr)
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H A D | pelib_analysis_tools.F90 | 125 call multipole_derivative(Vp, Rsg, M5s(:,j)) 270 call multipole_derivative(Fp, Rsg, M5s(:,j)) 487 call multipole_derivative(Vs, Rsg, M5s(:,j)) 682 if (maxval(abs(M5s(:,j))) >= zero) then 686 call multipole_derivative(Fmuls(l:l+2,1), Rji, M5s(:,j)) 896 call multipole_derivative(Fs, Rsg, M5s(:,j)) 1099 if (maxval(abs(M5s(:,j))) >= zero) then 1103 call multipole_derivative(Fmuls(l:l+2,1), Rji, M5s(:,j))
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H A D | pelib_options.F90 | 248 real(rp), dimension(:,:), allocatable, save :: M0s, M1s, M2s, M3s, M4s, M5s variable
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/pelib/tools/ |
H A D | potential_converter.py | 106 M5s = [] variable 142 M5s.append(map(float, line[lexlst+lelems+38:lexlst+lelems+59])) 209 for i, M5 in enumerate(M5s):
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/dports/www/matomo/piwik/vendor/matomo/device-detector/regexes/device/ |
H A D | mobiles.yml | 8799 model: 'M5s' 11548 …|M621C|M1852|M57[18]C|M3[ESX]|M3 Max|M031|m1 metal|M1 E|(?<!Nubia )M2|M2 E|M5s Build|PRO [567]|PRO…
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/dports/math/py-mathics/Mathics3-2.2.0/mathics/doc/xml/ |
H A D | data | 45548 …6MbS17gWnbCcQCRzWMJY4Z7gLZarGPpUDzJkwPvRzHh6hN6MSq0/6NSybmYWdYIN3E+yzYJ9VY+M5s/5SEmWK/PCsKTlvct0G9…
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/dports/security/hashcat-legacy/hashcat-legacy-2.00/salts/ |
H A D | brute-vbulletin.salt | 408204 M5s
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/dports/math/py-heyoka/heyoka.py-0.16.0/doc/notebooks/ |
H A D | The Keplerian billiard.ipynb | 166782 "X1/Zs8/M5s+fT7NmzXBycmLVqlXs37+fsmXLqo4lbJxsECGsUubMmTl58mR8cw4hEpMDBw5w7tw5\\\n",
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H A D | The Maxwell-Boltzmann distribution.ipynb | 555117 "maw5cmvRgRNKFj9UP570Vuf37DPQCQ4O1medP9LBA3tUrkJVeSfJpJJDLuv+M5s+7dJGrq6uer9e\\\n",
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/dports/devel/cld2/cld-20150505/internal/ |
H A D | test_shuffle_1000_48_666.utf8 | 40493 …ranco Gualano e Annamaria Bava. Sono stati ~ E' giusto, bravo Grillo 16,1% M5s è fondamentalmente …
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