| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/ |
| H A D | nwxc_eval.F | 262 subroutine nwxc_eval_df(ipol,nq,rho,gamma,tau,f,dfdr,dfdg,dfdt) argument
308 integer nq !< [Input] The number of points local
390 subroutine nwxc_eval_df_driver(ipol,nq,rho,gamma,tau, argument
560 subroutine nwxc_eval_df_doit(ipol,nq,rho,gamma,tau,f) argument
1787 subroutine nwxc_eval_df2(ipol,nq,rho,gamma,tau,f,dfdr,dfdr2, argument
1833 subroutine nwxca_eval_df2(ipol,nq,rho,gamma,tau,f,dfdr,dfdr2, argument
1954 subroutine nwxc_eval_df2_driver(ipol,nq,ndbl,rho,gamma,tau, argument
3525 subroutine nwxc_eval_df3(ipol,nq,rho,gamma,tau,f, argument
3574 subroutine nwxca_eval_df3(ipol,nq,rho,gamma,tau,f, argument
3672 subroutine nwxc_eval_df3_driver(ipol,nq,rho,gamma,tau, argument
[all …]
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| H A D | nwxc_x_tpss03.F | 66 Subroutine nwxc_x_tpss03_p(tol_rho, ipol, nq, wght, argument
73 Subroutine nwxc_x_tpss03_d2(tol_rho, ipol, nq, wght, argument
178 Subroutine nwxc_x_tpss03_cs_p(facttwo, tol_rho, ipol, nq, wght, argument
185 Subroutine nwxc_x_tpss03_cs_d2(facttwo, tol_rho, ipol, nq, wght, argument
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| H A D | nwxc_x_m06.F | 56 Subroutine nwxc_x_m06_p(param, tol_rho, ipol, nq, wght, rho, argument
63 Subroutine nwxc_x_m06_d2(param, tol_rho, ipol, nq, wght, rho, argument
559 Subroutine nwxc_x_m06_2x_p(param, tol_rho, ipol, nq, wght, argument
566 Subroutine nwxc_x_m06_2x_d2(param, tol_rho, ipol, nq, wght, argument
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| H A D | nwxc_x_m11.F | 33 Subroutine nwxc_x_m08_p(param, tol_rho, ipol, nq, wght, rho, argument
40 Subroutine nwxc_x_m08_d2(param, tol_rho, ipol, nq, wght, rho, argument
980 Subroutine nwxc_x_m11_p(param, tol_rho, ipol, nq, wght, rho, argument
987 Subroutine nwxc_x_m11_d2(param, tol_rho, ipol, nq, wght, rho, argument
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| H A D | nwxc_x_m05.F | 66 Subroutine nwxc_x_m05_p(param, tol_rho, ipol, nq, wght, rho, argument
73 Subroutine nwxc_x_m05_d2(param, tol_rho, ipol, nq, wght, rho, argument
518 Subroutine nwxc_x_dldf_p(tol_rho, ipol, nq, wght, rho, rgamma, argument
525 Subroutine nwxc_x_dldf_d2(tol_rho, ipol, nq, wght, rho, rgamma, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/libxc/ |
| H A D | nwchem_libxc_compute.F | 1 subroutine nwchem_libxc_compute(nq,ex,ec,qwght,rho,delrho,ttau, argument
456 subroutine nwchem_libxc_util1(nq,sigma,delrho) argument
458 integer nq local
470 subroutine nwchem_libxc_util2(nq,sigma,delrho) argument
472 integer nq local
490 subroutine nwchem_libxc_util3(ldew,nq,fac, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/ |
| H A D | nwxc_x_tpss03.F | 66 Subroutine nwxc_x_tpss03_p(tol_rho, ipol, nq, wght, argument
73 Subroutine nwxc_x_tpss03_d2(tol_rho, ipol, nq, wght, argument
178 Subroutine nwxc_x_tpss03_cs_p(facttwo, tol_rho, ipol, nq, wght, argument
185 Subroutine nwxc_x_tpss03_cs_d2(facttwo, tol_rho, ipol, nq, wght, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/ |
| H A D | xc_oep.F | 1 Subroutine read_vect(rho, vect1, nq, ipol, isp) argument
3 integer n, nq, ipol, isp local
15 Subroutine read_delrho(delrho, delrho_sig, nq, ipol, isp) argument
17 integer n, nq, ipol, isp local
27 Subroutine part_rho_rel(tol_rho, nq, Amat, Cmat, rho, vect1, argument
72 Subroutine total_Amat( nq, ipol, Amat, Amat_coul, qwght) argument
74 integer n, ipol, nq local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/ |
| H A D | xc_oep.F | 1 Subroutine read_vect(rho, vect1, nq, ipol, isp) argument
3 integer n, nq, ipol, isp local
15 Subroutine read_delrho(delrho, delrho_sig, nq, ipol, isp) argument
17 integer n, nq, ipol, isp local
27 Subroutine part_rho_rel(tol_rho, nq, Amat, Cmat, rho, vect1, argument
72 Subroutine total_Amat( nq, ipol, Amat, Amat_coul, qwght) argument
74 integer n, ipol, nq local
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| /dports/lang/gcc12-devel/gcc-12-20211205/gcc/testsuite/gfortran.dg/graphite/ |
| H A D | pr93439.f90 | 6 subroutine qu(ja, nq, en, p5) argument
7 real(kind = dp) :: nq(ja), en(ja), p5(ja) local
11 subroutine tl(ja, nq, en, p5) argument
12 real(kind = dp) :: nq(9), en(9 * ja), p5(3 * ja) local
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| /dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/gfortran.dg/graphite/ |
| H A D | pr93439.f90 | 6 subroutine qu(ja, nq, en, p5) argument
7 real(kind = dp) :: nq(ja), en(ja), p5(ja) local
11 subroutine tl(ja, nq, en, p5) argument
12 real(kind = dp) :: nq(9), en(9 * ja), p5(3 * ja) local
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| /dports/lang/gcc9-devel/gcc-9-20211007/gcc/testsuite/gfortran.dg/graphite/ |
| H A D | pr93439.f90 | 6 subroutine qu(ja, nq, en, p5) argument
7 real(kind = dp) :: nq(ja), en(ja), p5(ja) local
11 subroutine tl(ja, nq, en, p5) argument
12 real(kind = dp) :: nq(9), en(9 * ja), p5(3 * ja) local
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| /dports/lang/gcc11-devel/gcc-11-20211009/gcc/testsuite/gfortran.dg/graphite/ |
| H A D | pr93439.f90 | 6 subroutine qu(ja, nq, en, p5) argument
7 real(kind = dp) :: nq(ja), en(ja), p5(ja) local
11 subroutine tl(ja, nq, en, p5) argument
12 real(kind = dp) :: nq(9), en(9 * ja), p5(3 * ja) local
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| /dports/misc/cxx_atomics_pic/gcc-11.2.0/gcc/testsuite/gfortran.dg/graphite/ |
| H A D | pr93439.f90 | 6 subroutine qu(ja, nq, en, p5) argument
7 real(kind = dp) :: nq(ja), en(ja), p5(ja) local
11 subroutine tl(ja, nq, en, p5) argument
12 real(kind = dp) :: nq(9), en(9 * ja), p5(3 * ja) local
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| /dports/devel/avr-gcc/gcc-10.2.0/gcc/testsuite/gfortran.dg/graphite/ |
| H A D | pr93439.f90 | 6 subroutine qu(ja, nq, en, p5) argument
7 real(kind = dp) :: nq(ja), en(ja), p5(ja) local
11 subroutine tl(ja, nq, en, p5) argument
12 real(kind = dp) :: nq(9), en(9 * ja), p5(3 * ja) local
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| /dports/lang/gcc11/gcc-11.2.0/gcc/testsuite/gfortran.dg/graphite/ |
| H A D | pr93439.f90 | 6 subroutine qu(ja, nq, en, p5) argument
7 real(kind = dp) :: nq(ja), en(ja), p5(ja) local
11 subroutine tl(ja, nq, en, p5) argument
12 real(kind = dp) :: nq(9), en(9 * ja), p5(3 * ja) local
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| /dports/lang/gcc10-devel/gcc-10-20211008/gcc/testsuite/gfortran.dg/graphite/ |
| H A D | pr93439.f90 | 6 subroutine qu(ja, nq, en, p5) argument
7 real(kind = dp) :: nq(ja), en(ja), p5(ja) local
11 subroutine tl(ja, nq, en, p5) argument
12 real(kind = dp) :: nq(9), en(9 * ja), p5(3 * ja) local
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| /dports/lang/gcc9/gcc-9.4.0/gcc/testsuite/gfortran.dg/graphite/ |
| H A D | pr93439.f90 | 6 subroutine qu(ja, nq, en, p5) argument
7 real(kind = dp) :: nq(ja), en(ja), p5(ja) local
11 subroutine tl(ja, nq, en, p5) argument
12 real(kind = dp) :: nq(9), en(9 * ja), p5(3 * ja) local
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| /dports/graphics/graphviz/graphviz-2.44.1/lib/gvpr/ |
| H A D | queue.c | 56 queue *nq; in mkQ() local
62 void push(queue * nq, void *n) in push()
70 void *pop(queue * nq, int delete) in pop()
85 void freeQ(queue * nq) in freeQ()
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/rt_tddft/rtutils/ |
| H A D | rt_tddft_spatial_potential.F | 560 subroutine rt_tddft_spatial_potential_integrate (rtdb, nao, nq, argument
614 subroutine rt_tddft_spatial_potential_dump (rtdb, nao, nq, argument
838 subroutine rt_tddft_spatial_potential_print (rtdb, nao, nq, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/rt_tddft/rtutils/ |
| H A D | rt_tddft_spatial_potential.F | 560 subroutine rt_tddft_spatial_potential_integrate (rtdb, nao, nq, argument
613 subroutine rt_tddft_spatial_potential_dump (rtdb, nao, nq, argument
837 subroutine rt_tddft_spatial_potential_print (rtdb, nao, nq, argument
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| /dports/math/elpa/elpa-2019.05.002/src/elpa2/kernels/ |
| H A D | mod_single_hh_trafo_real.F90 | 24 subroutine single_hh_trafo_real_cpu_openmp_double(q, hh, nb, nq, ldq) argument
77 subroutine single_hh_trafo_real_cpu_openmp_single(q, hh, nb, nq, ldq) argument
90 integer(kind=ik), intent(in) :: nb, nq, ldq variable
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| /dports/misc/vxl/vxl-3.3.2/contrib/brl/bseg/sdet/ |
| H A D | sdet_mrf_site_bp.h | 58 float h(unsigned nq, unsigned fp) { return D(fp) + M(nq, fp); } in h()
70 float cur_message(unsigned nq, unsigned fp) const { return msg_[1-prior_][nq][fp]; } in cur_message()
73 float prior_message(unsigned nq, unsigned fp) const { return msg_[prior_][nq][fp]; } in prior_message()
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwxc/maxima/f77/ |
| H A D | nwxcm_x_camrpbe.F | 101 subroutine nwxcm_x_camrpbe(param,tol_rho,ipol,nq,wght, rho, argument
550 subroutine nwxcm_x_camrpbe_d2(param,tol_rho,ipol,nq,wght, rho, argument
1552 subroutine nwxcm_x_camrpbe_d3(param,tol_rho,ipol,nq,wght, rho, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwxc/maxima/f77/ |
| H A D | nwxcm_c_pkzb99.F | 59 subroutine nwxcm_c_pkzb99(param,tol_rho,ipol,nq,wght, rho, argument
596 subroutine nwxcm_c_pkzb99_d2(param,tol_rho,ipol,nq,wght, rho, argument
1730 subroutine nwxcm_c_pkzb99_d3(param,tol_rho,ipol,nq,wght, rho, argument
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