| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | ewalds.F | 76 … local_particles, fg_coulomb, vg_coulomb, pv_g, use_virial, charges, e_coulomb, & argument
88 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: charges, e_coulomb local
301 e_neut, charges) argument
308 REAL(KIND=dp), DIMENSION(:), POINTER :: charges local
387 charges) argument
393 REAL(KIND=dp), DIMENSION(:), POINTER :: charges local
|
| H A D | pme.F | 95 fgshell_coulomb, fgcore_coulomb, use_virial, charges, atprop) argument
108 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: charges local
501 is2_shell, core_particle_set, charges) argument
513 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: charges local
648 is2_core, is1_shell, is2_shell, charges) argument
656 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: charges local
|
| /dports/science/py-pyscf/pyscf-2.0.1/examples/qmmm/ |
| H A D | 30-force_on_mm_particles.py | 29 charges = (numpy.arange(5) + 1.) * -.1 variable
|
| /dports/science/lammps/lammps-stable_29Sep2021/src/MOLFILE/ |
| H A D | dump_molfile.h | 38 float *coords, *vels, *masses, *charges, *radiuses; variable
|
| /dports/games/cataclysm-dda-tiles/Cataclysm-DDA-0.F/data/json/furniture_and_terrain/ |
| H A D | furniture-industrial.json | 20 { "item": "cable", "charges": [ 4, 6 ] }, array
34 { "item": "cable", "charges": [ 8, 12 ] }, array
62 { "item": "cable", "charges": [ 0, 4 ] }, array
72 { "item": "cable", "charges": [ 4, 8 ] }, array
108 { "item": "cable", "charges": [ 1, 2 ] }, array
142 { "item": "lead", "charges": [ 12, 18 ] } array
149 { "item": "cable", "charges": [ 8, 16 ] }, array
181 { "item": "lead", "charges": [ 12, 18 ] } array
324 { "item": "nail", "charges": [ 3, 10 ] } array
342 { "item": "nail", "charges": [ 2, 5 ] } array
[all …]
|
| H A D | furniture-surfaces.json | 15 …x4", "count": 4 }, { "item": "wood_panel", "count": 1 }, { "item": "nail", "charges": [ 6, 10 ] } ] array
23 …"items": [ { "item": "2x4", "count": [ 2, 6 ] }, { "item": "nail", "charges": [ 4, 8 ] }, { "item"… array
41 …2x4", "count": 3 }, { "item": "wood_panel", "count": 1 }, { "item": "nail", "charges": [ 6, 8 ] } ] array
51 { "item": "nail", "charges": [ 2, 6 ] }, array
79 …"items": [ { "item": "2x4", "count": [ 2, 6 ] }, { "item": "nail", "charges": [ 4, 8 ] }, { "item"… array
116 …4", "count": 8 }, { "item": "wood_panel", "count": 1 }, { "item": "nail", "charges": [ 16, 24 ] } ] array
126 { "item": "nail", "charges": [ 10, 16 ] }, array
279 …2x4", "count": 4 }, { "item": "wood_panel", "count": 1 }, { "item": "nail", "charges": [ 6, 8 ] } ] array
289 { "item": "nail", "charges": [ 4, 8 ] }, array
309 …2x4", "count": 2 }, { "item": "wood_panel", "count": 1 }, { "item": "nail", "charges": [ 6, 8 ] } ] array
[all …]
|
| /dports/games/cataclysm-dda/Cataclysm-DDA-0.F/data/json/furniture_and_terrain/ |
| H A D | furniture-industrial.json | 20 { "item": "cable", "charges": [ 4, 6 ] }, array
34 { "item": "cable", "charges": [ 8, 12 ] }, array
62 { "item": "cable", "charges": [ 0, 4 ] }, array
72 { "item": "cable", "charges": [ 4, 8 ] }, array
108 { "item": "cable", "charges": [ 1, 2 ] }, array
142 { "item": "lead", "charges": [ 12, 18 ] } array
149 { "item": "cable", "charges": [ 8, 16 ] }, array
181 { "item": "lead", "charges": [ 12, 18 ] } array
324 { "item": "nail", "charges": [ 3, 10 ] } array
342 { "item": "nail", "charges": [ 2, 5 ] } array
[all …]
|
| H A D | furniture-surfaces.json | 15 …x4", "count": 4 }, { "item": "wood_panel", "count": 1 }, { "item": "nail", "charges": [ 6, 10 ] } ] array
23 …"items": [ { "item": "2x4", "count": [ 2, 6 ] }, { "item": "nail", "charges": [ 4, 8 ] }, { "item"… array
41 …2x4", "count": 3 }, { "item": "wood_panel", "count": 1 }, { "item": "nail", "charges": [ 6, 8 ] } ] array
51 { "item": "nail", "charges": [ 2, 6 ] }, array
79 …"items": [ { "item": "2x4", "count": [ 2, 6 ] }, { "item": "nail", "charges": [ 4, 8 ] }, { "item"… array
116 …4", "count": 8 }, { "item": "wood_panel", "count": 1 }, { "item": "nail", "charges": [ 16, 24 ] } ] array
126 { "item": "nail", "charges": [ 10, 16 ] }, array
279 …2x4", "count": 4 }, { "item": "wood_panel", "count": 1 }, { "item": "nail", "charges": [ 6, 8 ] } ] array
289 { "item": "nail", "charges": [ 4, 8 ] }, array
309 …2x4", "count": 2 }, { "item": "wood_panel", "count": 1 }, { "item": "nail", "charges": [ 6, 8 ] } ] array
[all …]
|
| /dports/games/cataclysm-dda/Cataclysm-DDA-0.F/data/json/items/comestibles/ |
| H A D | junkfood.json | 19 "charges": 8, number
57 "charges": 2, number
103 "charges": 8, number
125 "charges": 4, number
170 "charges": 3, number
192 "charges": 3, number
211 "charges": 3, number
228 "charges": 5, number
274 "charges": 3, number
295 "charges": 3, number
[all …]
|
| H A D | soup.json | 19 "charges": 2, number
47 "charges": 2, number
71 "charges": 2, number
100 "charges": 2, number
124 "charges": 2, number
147 "charges": 2, number
174 "charges": 2, number
198 "charges": 2, number
223 "charges": 2, number
248 "charges": 2, number
[all …]
|
| /dports/games/cataclysm-dda-tiles/Cataclysm-DDA-0.F/data/json/items/comestibles/ |
| H A D | junkfood.json | 19 "charges": 8, number
57 "charges": 2, number
103 "charges": 8, number
125 "charges": 4, number
170 "charges": 3, number
192 "charges": 3, number
211 "charges": 3, number
228 "charges": 5, number
274 "charges": 3, number
295 "charges": 3, number
[all …]
|
| H A D | soup.json | 19 "charges": 2, number
47 "charges": 2, number
71 "charges": 2, number
100 "charges": 2, number
124 "charges": 2, number
147 "charges": 2, number
174 "charges": 2, number
198 "charges": 2, number
223 "charges": 2, number
248 "charges": 2, number
[all …]
|
| /dports/games/cataclysm-dda-tiles/Cataclysm-DDA-0.F/data/json/recipes/ammo/ |
| H A D | pistol.json | 14 "charges": 1, number
31 "charges": 1, number
48 "charges": 1, number
65 "charges": 1, number
82 "charges": 1, number
99 "charges": 1, number
116 "charges": 1, number
133 "charges": 1, number
150 "charges": 1, number
167 "charges": 1, number
[all …]
|
| H A D | rifle.json | 14 "charges": 1, number
32 "charges": 1, number
50 "charges": 1, number
68 "charges": 1, number
86 "charges": 1, number
103 "charges": 1, number
120 "charges": 1, number
143 "charges": 1, number
160 "charges": 1, number
178 "charges": 1, number
[all …]
|
| /dports/games/cataclysm-dda/Cataclysm-DDA-0.F/data/json/recipes/ammo/ |
| H A D | pistol.json | 14 "charges": 1, number
31 "charges": 1, number
48 "charges": 1, number
65 "charges": 1, number
82 "charges": 1, number
99 "charges": 1, number
116 "charges": 1, number
133 "charges": 1, number
150 "charges": 1, number
167 "charges": 1, number
[all …]
|
| H A D | rifle.json | 14 "charges": 1, number
32 "charges": 1, number
50 "charges": 1, number
68 "charges": 1, number
86 "charges": 1, number
103 "charges": 1, number
120 "charges": 1, number
143 "charges": 1, number
160 "charges": 1, number
178 "charges": 1, number
[all …]
|
| /dports/games/cataclysm-dda-tiles/Cataclysm-DDA-0.F/data/mods/My_Sweet_Cataclysm/ |
| H A D | sweet_med.json | 14 "charges": 3, number
|
| /dports/games/cataclysm-dda/Cataclysm-DDA-0.F/data/mods/My_Sweet_Cataclysm/ |
| H A D | sweet_med.json | 14 "charges": 3, number
|
| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/apbs/contrib/iapbs/modules/NAMD/ |
| H A D | GlobalMasterAPBS.h | 43 double *charges; variable
|
| /dports/science/gromacs/gromacs-2021.4/src/gromacs/nbnxm/benchmark/ |
| H A D | bench_system.h | 79 std::vector<real> charges; member
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | pme.F | 95 fgshell_coulomb, fgcore_coulomb, use_virial, charges, atprop) argument
108 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: charges local
501 is2_shell, core_particle_set, charges) argument
513 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: charges local
648 is2_core, is1_shell, is2_shell, charges) argument
656 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: charges local
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/fast/ |
| H A D | fmm.F | 72 subroutine direct_sum_at_charges(coords, charges, ncharge, pot) argument
75 double precision coords(3,*), charges(*), x, y, z, pot(ncharge) local
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/fast/ |
| H A D | fmm.F | 72 subroutine direct_sum_at_charges(coords, charges, ncharge, pot) argument
75 double precision coords(3,*), charges(*), x, y, z, pot(ncharge) local
|
| /dports/science/pcmsolver/pcmsolver-1.3.0/tests/Fortran_host/ |
| H A D | Fortran_host.f90 | 36 real(c_double), allocatable :: charges(:) variable
|
| /dports/science/plumed/plumed2-2.7.2/src/colvar/ |
| H A D | Dipole.cpp | 120 vector<double> charges(N); in calculate() local
|