| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/ |
| H A D | nwxc_c_p91_vwn5.F | 52 Subroutine nwxc_c_p91_vwn5_p(tol_rho, ipol, nq, wght, rho, rgamma, argument
59 Subroutine nwxc_c_p91_vwn5_d2(tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_c_p91.F | 45 Subroutine nwxc_c_p91_p(tol_rho,ipol,nq,wght,rho,rgamma,ffunc) argument
50 Subroutine nwxc_c_p91_d2(tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_c_pbe.F | 65 Subroutine nwxc_c_pbe_p(param,tol_rho, ipol, nq, wght, rho, argument
72 Subroutine nwxc_c_pbe_d2(param,tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_c_sogga.F | 44 subroutine nwxc_c_sogga_p(param, tol_rho, ipol, nq, wght, rho, argument
51 subroutine nwxc_c_sogga_d2(param, tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_c_lyp.F | 49 Subroutine nwxc_c_lyp_p(tol_rho, ipol, nq, wght, rho, rgamma, argument
56 Subroutine nwxc_c_lyp_d2(tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_c_spbe.F | 30 Subroutine nwxc_c_spbe_p(tol_rho, ipol, nq, wght, rho, rgamma, argument
37 Subroutine nwxc_c_spbe_d2(tol_rho, ipol, nq, wght, rho, rgamma, argument
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| H A D | nwxc_x_pkzb99.F | 51 Subroutine nwxc_x_pkzb99_p(tol_rho, ipol, nq, wght, rho, argument
58 Subroutine nwxc_x_pkzb99_d2(tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_x_camlsd.F | 43 Subroutine nwxc_x_camlsd_p(param, tol_rho, ipol, nq, wght, rho, argument
51 Subroutine nwxc_x_camlsd_d2(param, tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_x_b88.F | 33 Subroutine nwxc_x_b88_p(tol_rho, ipol, nq, wght, rho, rgamma, argument
40 Subroutine nwxc_x_b88_d2(tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_x_camb88.F | 41 Subroutine nwxc_x_camb88_p(param,tol_rho, ipol, nq, wght, argument
48 Subroutine nwxc_x_camb88_d2(param, tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_c_b97.F | 36 Subroutine nwxc_c_b97_p(param,tol_rho,ipol,nq,wght,rho,rgamma, argument
43 Subroutine nwxc_c_b97_d2(param,tol_rho,ipol,nq,wght,rho,rgamma, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/ |
| H A D | nwxc_c_perdew86.F | 44 Subroutine nwxc_c_perdew86_p(tol_rho, ipol, nq, wght, rho, rgamma, argument
51 Subroutine nwxc_c_perdew86_d2(tol_rho, ipol, nq, wght, argument
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| H A D | nwxc_c_m11.F | 48 Subroutine nwxc_c_m11_p(param, tol_rho, ipol, nq, wght, rho, argument
55 Subroutine nwxc_c_m11_d2(param, tol_rho, ipol, nq, wght, argument
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| H A D | nwxc_c_p91_vwn5.F | 52 Subroutine nwxc_c_p91_vwn5_p(tol_rho, ipol, nq, wght, rho, rgamma, argument
59 Subroutine nwxc_c_p91_vwn5_d2(tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_c_p91.F | 45 Subroutine nwxc_c_p91_p(tol_rho,ipol,nq,wght,rho,rgamma,ffunc) argument
50 Subroutine nwxc_c_p91_d2(tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_c_sogga.F | 44 subroutine nwxc_c_sogga_p(param, tol_rho, ipol, nq, wght, rho, argument
51 subroutine nwxc_c_sogga_d2(param, tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_c_spbe.F | 30 Subroutine nwxc_c_spbe_p(tol_rho, ipol, nq, wght, rho, rgamma, argument
37 Subroutine nwxc_c_spbe_d2(tol_rho, ipol, nq, wght, rho, rgamma, argument
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| H A D | nwxc_x_pkzb99.F | 51 Subroutine nwxc_x_pkzb99_p(tol_rho, ipol, nq, wght, rho, argument
58 Subroutine nwxc_x_pkzb99_d2(tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_c_lyp.F | 49 Subroutine nwxc_c_lyp_p(tol_rho, ipol, nq, wght, rho, rgamma, argument
56 Subroutine nwxc_c_lyp_d2(tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_c_pbe.F | 65 Subroutine nwxc_c_pbe_p(param,tol_rho, ipol, nq, wght, rho, argument
72 Subroutine nwxc_c_pbe_d2(param,tol_rho, ipol, nq, wght, rho, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/DMatrix/ |
| H A D | DMatrix.F | 665 subroutine DMatrix_m_ijtoiijjp(i1,j1,ii,jj,p,ldq,mq,nq) argument
668 integer ldq,mq(*),nq(*) local
765 subroutine DMatrix_m_set_value(w,i1,j1,A,ldq,mq,nq) argument
769 integer ldq,mq(*),nq(*) local
822 subroutine DMatrix_m_add_value(w,i1,j1,A,ldq,mq,nq) argument
826 integer ldq,mq(*),nq(*) local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/DMatrix/ |
| H A D | DMatrix.F | 665 subroutine DMatrix_m_ijtoiijjp(i1,j1,ii,jj,p,ldq,mq,nq) argument
668 integer ldq,mq(*),nq(*) local
765 subroutine DMatrix_m_set_value(w,i1,j1,A,ldq,mq,nq) argument
769 integer ldq,mq(*),nq(*) local
822 subroutine DMatrix_m_add_value(w,i1,j1,A,ldq,mq,nq) argument
826 integer ldq,mq(*),nq(*) local
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| /dports/science/cantera/cantera-2.5.1-611-gc4d6ecc15/interfaces/matlab/toolbox/@ThermoPhase/ |
| H A D | set.m | 69 nq = 0; variable
132 nq = nq + 1; variable
135 nq = nq + 1; variable
138 nq = nq + 1; variable
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_vwn1_rpa.F | 91 subroutine nwxcm_c_vwn1_rpa(param,tol_rho,ipol,nq,wght, argument
441 subroutine nwxcm_c_vwn1_rpa_d2(param,tol_rho,ipol,nq,wght, argument
1058 subroutine nwxcm_c_vwn1_rpa_d3(param,tol_rho,ipol,nq,wght, argument
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| H A D | nwxcm_c_pw91lda.F | 93 subroutine nwxcm_c_pw91lda(param,tol_rho,ipol,nq,wght, argument
433 subroutine nwxcm_c_pw91lda_d2(param,tol_rho,ipol,nq,wght, argument
1010 subroutine nwxcm_c_pw91lda_d3(param,tol_rho,ipol,nq,wght, argument
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