| /dports/science/lammps/lammps-stable_29Sep2021/src/MANYBODY/ |
| H A D | pair_gw.h | 95 const double hcth = param->h - costheta; in gw_gijk() local
99 return param->gamma * (1.0 + gw_c / gw_d - gw_c / (gw_d + hcth * hcth)); in gw_gijk()
106 const double hcth = param->h - costheta; in gw_gijk_d() local
107 const double numerator = -2.0 * gw_c * hcth; in gw_gijk_d()
108 const double denominator = 1.0 / (gw_d + hcth * hcth); in gw_gijk_d()
|
| H A D | pair_tersoff.h | 93 const double hcth = param->h - costheta; in ters_gijk() local
95 return param->gamma * (1.0 + ters_c / ters_d - ters_c / (ters_d + hcth * hcth)); in ters_gijk()
102 const double hcth = param->h - costheta; in ters_gijk_d() local
103 const double numerator = -2.0 * ters_c * hcth; in ters_gijk_d()
104 const double denominator = 1.0 / (ters_d + hcth * hcth); in ters_gijk_d()
|
| H A D | pair_extep.h | 97 const double hcth = param->h - costheta; in ters_gijk() local
99 return param->gamma * (1.0 + ters_c / ters_d - ters_c / (ters_d + hcth * hcth)); in ters_gijk()
106 const double hcth = param->h - costheta; in ters_gijk_d() local
107 const double numerator = -2.0 * ters_c * hcth; in ters_gijk_d()
108 const double denominator = 1.0 / (ters_d + hcth * hcth); in ters_gijk_d()
|
| H A D | pair_comb.h | 109 const double hcth = param->h - costheta; in comb_gijk() local
111 return param->gamma * (1.0 + comb_c / comb_d - comb_c / (comb_d + hcth * hcth)); in comb_gijk()
118 const double hcth = param->h - costheta; in comb_gijk_d() local
119 const double numerator = -2.0 * comb_c * hcth; in comb_gijk_d()
120 const double denominator = 1.0 / (comb_d + hcth * hcth); in comb_gijk_d()
|
| /dports/science/openkim-models/openkim-models-2021-01-28/model-drivers/Tersoff_LAMMPS__MD_077075034781_004/ |
| H A D | pair_tersoff.hpp | 267 const double hcth = h - costheta; in ters_gijk() local
268 return gamma*(1.0 + c2_d2 - c2 / (d2 + hcth*hcth)); in ters_gijk()
274 const double hcth = h - costheta; in ters_gijk_d() local
275 const double numerator = -2.0 * c2 * hcth; in ters_gijk_d()
276 const double denominator = 1.0/(d2 + hcth*hcth); in ters_gijk_d()
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/dft_he2+/ |
| H A D | dft_he2+.nw | 3 title "he2+ hcth functional"
29 XC hcth
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/dft_he2+/ |
| H A D | dft_he2+.nw | 3 title "he2+ hcth functional"
29 XC hcth
|
| /dports/science/lammps/lammps-stable_29Sep2021/lib/gpu/ |
| H A D | lal_tersoff_extra.h | 58 const numtyp hcth = param_h - costheta; in ters_gijk() local
60 param_c *ucl_recip(param_d + hcth*hcth)); in ters_gijk()
72 const numtyp hcth = param_h - costheta; in ters_gijk_d() local
73 const numtyp idhh=ucl_recip(param_d + hcth*hcth); in ters_gijk_d()
74 const numtyp numerator = (numtyp)-2.0 * param_c * hcth; in ters_gijk_d()
|
| H A D | lal_tersoff_zbl_extra.h | 61 const numtyp hcth = param_h - costheta; in ters_gijk() local
63 ters_c *ucl_recip(ters_d + hcth*hcth)); in ters_gijk()
76 const numtyp hcth = param_h - costheta; in ters_gijk_d() local
77 const numtyp numerator = (numtyp)-2.0 * ters_c * hcth; in ters_gijk_d()
78 const numtyp denominator = ucl_recip(ters_d + hcth*hcth); in ters_gijk_d()
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/pspw_hcth_h2o/ |
| H A D | pspw_hcth_h2o.nw | 23 xc new hcth
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/libxc_he2+/ |
| H A D | libxc_he2+.nw | 3 title "he2+ hcth functional"
|
| /dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
| H A D | pair_tersoff_kokkos.cpp | 858 const F_FLOAT hcth = paramskk(i,j,k).h - cos; in ters_gijk() local
860 return paramskk(i,j,k).gamma*(1.0 + ters_c/ters_d - ters_c/(ters_d+hcth*hcth)); in ters_gijk()
872 const F_FLOAT hcth = paramskk(i,j,k).h - cos; in ters_dgijk() local
873 const F_FLOAT numerator = -2.0 * ters_c * hcth; in ters_dgijk()
874 const F_FLOAT denominator = 1.0/(ters_d + hcth*hcth); in ters_dgijk()
|
| H A D | pair_tersoff_zbl_kokkos.cpp | 931 const F_FLOAT hcth = paramskk(i,j,k).h - cos; in ters_gijk() local
933 return paramskk(i,j,k).gamma*(1.0 + ters_c/ters_d - ters_c/(ters_d+hcth*hcth)); in ters_gijk()
946 const F_FLOAT hcth = paramskk(i,j,k).h - cos; in ters_dgijk() local
947 const F_FLOAT numerator = -2.0 * ters_c * hcth; in ters_dgijk()
948 const F_FLOAT denominator = 1.0/(ters_d + hcth*hcth); in ters_dgijk()
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/ |
| H A D | xc_hcth.F | 60 call hcth(ipol,funcname,
88 call hcth(ipol,funcname,
258 SUBROUTINE hcth(ipol,functional, subroutine
|
| H A D | xc_hcth.fh | 55 data funcnam/'b970','b980','b971','hcth','hcta','h120','h147',
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/ |
| H A D | xc_hcth.F | 60 call hcth(ipol,funcname,
88 call hcth(ipol,funcname,
258 SUBROUTINE hcth(ipol,functional, subroutine
|
| H A D | xc_hcth.fh | 55 data funcnam/'b970','b980','b971','hcth','hcta','h120','h147',
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_1ar/ |
| H A D | nwxc_tddft_1ar.nw | 747 xc hcth
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_1he/ |
| H A D | nwxc_tddft_1he.nw | 725 xc hcth
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_1ne/ |
| H A D | nwxc_tddft_1ne.nw | 739 xc hcth
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_tddft_1xe/ |
| H A D | nwxc_tddft_1xe.nw | 774 xc hcth
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/nwxc_nwdft_1he/ |
| H A D | nwxc_nwdft_1he.nw | 719 xc hcth
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_nwdft_1he/ |
| H A D | nwxc_nwdft_1he.nw | 719 xc hcth
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_tddft_1ar/ |
| H A D | nwxc_tddft_1ar.nw | 747 xc hcth
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/nwxc_tddft_1kr/ |
| H A D | nwxc_tddft_1kr.nw | 760 xc hcth
|