| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/ |
| H A D | nwxc_c_opt.F | 54 subroutine nwxc_c_opt_p(tol_rho,ipol,nq,wght,rho,rgamma,func) argument
59 subroutine nwxc_c_opt_d2(tol_rho,ipol,nq,wght,rho,rgamma,func) argument
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| H A D | nwxc_c_pkzb99.F | 51 Subroutine nwxc_c_pkzb99_p(param,tol_rho, ipol, nq, wght, rho, argument
58 Subroutine nwxc_c_pkzb99_d2(param,tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_x_b97.F | 38 Subroutine nwxc_x_b97_p(param,tol_rho,ipol,nq,wght,rho,rgamma, argument
45 Subroutine nwxc_x_b97_d2(param,tol_rho,ipol,nq,wght,rho,rgamma, argument
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| H A D | nwxc_x_cams12.F | 32 Subroutine nwxc_x_cams12_p(param, tol_rho, ipol, nq, wght, rho, argument
39 Subroutine nwxc_x_cams12_d2(param, tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_x_gill.F | 29 Subroutine nwxc_x_gill_p(tol_rho, ipol, nq, wght, rho, rgamma, argument
36 Subroutine nwxc_x_gill_d2(tol_rho, ipol, nq, wght, rho, rgamma, argument
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| H A D | nwxc_x_s12.F | 32 Subroutine nwxc_x_s12_p(param, tol_rho, ipol, nq, wght, rho, argument
39 Subroutine nwxc_x_s12_d2(param, tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_x_sogga.F | 51 Subroutine nwxc_x_sogga_p(param, tol_rho, ipol, nq, wght, rho, argument
58 Subroutine nwxc_x_sogga_d2(param, tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_xc_kt1.F | 44 Subroutine nwxc_xc_kt1_p(tol_rho, ipol, nq, wght, rho, rgamma, argument
51 Subroutine nwxc_xc_kt1_d2(tol_rho, ipol, nq, wght, rho, rgamma, argument
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| H A D | nwxc_c_Mpbe.F | 45 Subroutine nwxc_c_Mpbe_p(param,tol_rho,ipol,nq,wght,rho,rgamma, argument
52 Subroutine nwxc_c_Mpbe_d2(param,tol_rho,ipol,nq,wght,rho,rgamma, argument
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| H A D | nwxc_c_tpss03.F | 64 Subroutine nwxc_c_tpss03_p(param,tol_rho, ipol, nq, wght, argument
71 Subroutine nwxc_c_tpss03_d2(param,tol_rho, ipol, nq, wght, argument
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| H A D | nwxc_x_b86b.F | 37 Subroutine nwxc_x_b86b_p(tol_rho, ipol, nq, wght, rho, rgamma, argument
44 Subroutine nwxc_x_b86b_d2(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_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_x_b97.F | 38 Subroutine nwxc_x_b97_p(param,tol_rho,ipol,nq,wght,rho,rgamma, argument
45 Subroutine nwxc_x_b97_d2(param,tol_rho,ipol,nq,wght,rho,rgamma, argument
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| H A D | nwxc_c_pkzb99.F | 51 Subroutine nwxc_c_pkzb99_p(param,tol_rho, ipol, nq, wght, rho, argument
58 Subroutine nwxc_c_pkzb99_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_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_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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| H A D | nwxc_c_opt.F | 54 subroutine nwxc_c_opt_p(tol_rho,ipol,nq,wght,rho,rgamma,func) argument
59 subroutine nwxc_c_opt_d2(tol_rho,ipol,nq,wght,rho,rgamma,func) argument
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| H A D | nwxc_x_cams12.F | 32 Subroutine nwxc_x_cams12_p(param, tol_rho, ipol, nq, wght, rho, argument
39 Subroutine nwxc_x_cams12_d2(param, tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_x_s12.F | 32 Subroutine nwxc_x_s12_p(param, tol_rho, ipol, nq, wght, rho, argument
39 Subroutine nwxc_x_s12_d2(param, tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_x_sogga.F | 51 Subroutine nwxc_x_sogga_p(param, tol_rho, ipol, nq, wght, rho, argument
58 Subroutine nwxc_x_sogga_d2(param, tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_c_tpss03.F | 64 Subroutine nwxc_c_tpss03_p(param,tol_rho, ipol, nq, wght, argument
71 Subroutine nwxc_c_tpss03_d2(param,tol_rho, ipol, nq, wght, argument
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| H A D | nwxc_x_gill.F | 29 Subroutine nwxc_x_gill_p(tol_rho, ipol, nq, wght, rho, rgamma, argument
36 Subroutine nwxc_x_gill_d2(tol_rho, ipol, nq, wght, rho, rgamma, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/ |
| H A D | xc_rhogen.F | 621 subroutine xc_dchiff(nq,n0,n1, argument
641 subroutine xc_dchiffp(nq,ipol2,n0,n1, argument
1248 subroutine xc_delrhodotr(nq,ipol,qxyz,rho,delrho,delrhoq) argument
1250 integer nq,ipol ![in] local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/ |
| H A D | xc_rhogen.F | 621 subroutine xc_dchiff(nq,n0,n1, argument
641 subroutine xc_dchiffp(nq,ipol2,n0,n1, argument
1248 subroutine xc_delrhodotr(nq,ipol,qxyz,rho,delrho,delrhoq) argument
1250 integer nq,ipol ![in] local
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