| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/dft/ |
| H A D | libxc_itrf.c | 87 double *vlapl = NULL; in _eval_xc() local
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| /dports/science/helfem/HelFEM-21461e9/src/atomic/ |
| H A D | dftgrid.h | 102 arma::mat vlapl; variable
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| /dports/science/helfem/HelFEM-21461e9/src/diatomic/ |
| H A D | dftgrid.h | 102 arma::mat vlapl; variable
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| /dports/science/helfem/HelFEM-21461e9/src/sadatom/ |
| H A D | dftgrid.h | 91 arma::mat vlapl; variable
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| /dports/science/elk/elk-7.2.42/src/ |
| H A D | libxcifc.f90 | 108 real(8), allocatable :: lapl(:,:),t(:,:),vlapl(:,:),vtau(:,:) local
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| H A D | libxcf90.f90 | 1223 real(c_double), intent(out) :: zk(*), vrho(*), vsigma(*), vlapl(*), vtau(*) local
1295 real(c_double), intent(out) :: vrho(*), vsigma(*), vlapl(*), vtau(*) local
1305 real(c_double), intent(out) :: vrho(*), vsigma(*), vlapl(*), vtau(*) local
1321 real(c_double), intent(out) :: vrho(*), vsigma(*), vlapl(*), vtau(*) local
1976 real(c_double), intent(out) :: zk(*), vrho(*), vsigma(*), vlapl(*), vtau(*) local
2024 real(c_double), intent(out) :: zk(*), vrho(*), vsigma(*), vlapl(*), vtau(*) local
2036 real(c_double), intent(out) :: zk(*), vrho(*), vsigma(*), vlapl(*), vtau(*) local
2055 real(c_double), intent(out) :: zk(*), vrho(*), vsigma(*), vlapl(*), vtau(*) local
2077 real(c_double), intent(out) :: vrho(*), vsigma(*), vlapl(*), vtau(*) local
2089 real(c_double), intent(out) :: vrho(*), vsigma(*), vlapl(*), vtau(*) local
[all …]
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| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/ |
| H A D | dftgrid.h | 274 arma::mat vlapl; variable
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| /dports/science/atompaw/atompaw-4.1.1.0/src/ |
| H A D | libxc_tools.c | 212 double *zk, double *vrho, double *vsigma, double *vlapl, double *vtau, in xc_get_mgga()
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/xc/ |
| H A D | xc_libxc.F | 1175 v2rhosigma, v2rhotau, v2sigma2, v2sigmalapl, v2sigmatau, v2tau2, v3rho3, vlapl, vrho, & local
1627 REAL(KIND=dp), DIMENSION(2, 1) :: laplace_rhov, rhov, tauv, vlapl, vrho, & local
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| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/ |
| H A D | dftgrid.h | 274 arma::mat vlapl; variable
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| /dports/science/libxc/libxc-5.0.0/src/ |
| H A D | mgga.c | 250 double *zk, double *vrho, double *vsigma, double *vlapl, double *vtau) in xc_mgga_exc_vxc()
265 double *zk, double *vrho, double *vsigma, double *vlapl, double *vtau, in xc_mgga_exc_vxc_fxc()
283 double *vrho, double *vsigma, double *vlapl, double *vtau, in xc_mgga_vxc_fxc()
301 double *zk, double *vrho, double *vsigma, double *vlapl, double *vtau, in xc_mgga_exc_vxc_fxc_kxc()
327 double *vrho, double *vsigma, double *vlapl, double *vtau, in xc_mgga_vxc_fxc_kxc()
355 double *vrho, double *vsigma, double *vlapl, double *vtau) in xc_mgga_vxc()
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| H A D | xc-threshold.c | 31 double vlapl[2]; /* vlapla, vlaplb */ member
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| H A D | libxc_master.F90 | 628 real(c_double), intent(out) :: zk(*), vrho(*), vsigma(*), vlapl(*), vtau(*) local
659 real(c_double), intent(out) :: zk(*), vrho(*), vsigma(*), vlapl(*), vtau(*) local
669 real(c_double), intent(out) :: zk(*), vrho(*), vsigma(*), vlapl(*), vtau(*) local
685 real(c_double), intent(out) :: zk(*), vrho(*), vsigma(*), vlapl(*), vtau(*) local
700 real(c_double), intent(out) :: vrho(*), vsigma(*), vlapl(*), vtau(*) local
710 real(c_double), intent(out) :: vrho(*), vsigma(*), vlapl(*), vtau(*) local
726 real(c_double), intent(out) :: vrho(*), vsigma(*), vlapl(*), vtau(*) local
1329 real(c_double), intent(out) :: zk(*), vrho(*), vsigma(*), vlapl(*), vtau(*) local
1430 real(c_double), intent(out) :: vrho(*), vsigma(*), vlapl(*), vtau(*) local
1442 real(c_double), intent(out) :: vrho(*), vsigma(*), vlapl(*), vtau(*) local
[all …]
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| /dports/science/libxc/libxc-5.0.0/testsuite/ |
| H A D | xc-get_data.c | 32 double vlapl[2]; /* vlapla, vlaplb */ member
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| H A D | xc-regression.c | 37 double *vlapl; member
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| /dports/science/cp2k-data/cp2k-7.1.0/src/xc/ |
| H A D | xc_libxc.F | 1175 v2rhosigma, v2rhotau, v2sigma2, v2sigmalapl, v2sigmatau, v2tau2, v3rho3, vlapl, vrho, & local
1627 REAL(KIND=dp), DIMENSION(2, 1) :: laplace_rhov, rhov, tauv, vlapl, vrho, & local
|