| /dports/science/py-ase/ase-3.22.0/ase/calculators/ |
| H A D | morse.py | 61 'pbc', 'charges', 'magmoms']):
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| /dports/games/cataclysm-dda-tiles/Cataclysm-DDA-0.F/data/json/furniture_and_terrain/ |
| H A D | furniture-appliances.json | 19 { "item": "cable", "charges": [ 1, 15 ] }, array
37 { "item": "cable", "charges": [ 1, 15 ] }, array
62 { "item": "cable", "charges": [ 1, 15 ] }, array
78 { "item": "cable", "charges": [ 1, 15 ] }, array
105 { "item": "cable", "charges": [ 1, 15 ] }, array
124 { "item": "cable", "charges": [ 1, 15 ] }, array
153 { "item": "motor_small", "charges": 1 }, number
169 { "item": "cable", "charges": [ 1, 15 ] } array
190 { "item": "cable", "charges": [ 1, 3 ] }, array
211 { "item": "cable", "charges": [ 1, 2 ] }, array
[all …]
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| H A D | furniture-sleep.json | 23 { "item": "nail", "charges": [ 6, 8 ] }, array
44 …attress", "count": 2 }, { "item": "2x4", "count": 28 }, { "item": "nail", "charges": [ 20, 30 ] } ] array
54 { "item": "nail", "charges": [ 15, 20 ] }, array
71 …"deconstruct": { "items": [ { "item": "2x4", "count": 12 }, { "item": "nail", "charges": [ 8, 10 ]… array
80 { "item": "nail", "charges": [ 6, 8 ] }, array
146 …4", "count": 4 }, { "item": "rag", "count": [ 30, 35 ] }, { "item": "nail", "charges": [ 4, 6 ] } ] array
156 { "item": "nail", "charges": [ 2, 6 ] }, array
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| H A D | terrain-zlevel-transitions.json | 19 { "item": "nail", "charges": [ 0, 5 ] }, array
23 …"deconstruct": { "ter_set": "t_open_air", "items": [ { "item": "nail", "charges": [ 4, 8 ] }, { "i… array
37 "items": [ { "item": "nail", "charges": [ 12, 20 ] }, { "item": "2x4", "count": [ 2, 6 ] } ] array
47 { "item": "nail", "charges": [ 0, 5 ] }, array
70 { "item": "nail", "charges": [ 0, 5 ] }, array
88 { "item": "nail", "charges": [ 12, 20 ] }, array
102 { "item": "nail", "charges": [ 1, 5 ] }, array
304 { "item": "nail", "charges": [ 1, 5 ] }, array
326 { "item": "nail", "charges": [ 1, 5 ] }, array
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| /dports/games/cataclysm-dda/Cataclysm-DDA-0.F/data/json/furniture_and_terrain/ |
| H A D | furniture-appliances.json | 19 { "item": "cable", "charges": [ 1, 15 ] }, array
37 { "item": "cable", "charges": [ 1, 15 ] }, array
62 { "item": "cable", "charges": [ 1, 15 ] }, array
78 { "item": "cable", "charges": [ 1, 15 ] }, array
105 { "item": "cable", "charges": [ 1, 15 ] }, array
124 { "item": "cable", "charges": [ 1, 15 ] }, array
153 { "item": "motor_small", "charges": 1 }, number
169 { "item": "cable", "charges": [ 1, 15 ] } array
190 { "item": "cable", "charges": [ 1, 3 ] }, array
211 { "item": "cable", "charges": [ 1, 2 ] }, array
[all …]
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| H A D | furniture-sleep.json | 23 { "item": "nail", "charges": [ 6, 8 ] }, array
44 …attress", "count": 2 }, { "item": "2x4", "count": 28 }, { "item": "nail", "charges": [ 20, 30 ] } ] array
54 { "item": "nail", "charges": [ 15, 20 ] }, array
71 …"deconstruct": { "items": [ { "item": "2x4", "count": 12 }, { "item": "nail", "charges": [ 8, 10 ]… array
80 { "item": "nail", "charges": [ 6, 8 ] }, array
146 …4", "count": 4 }, { "item": "rag", "count": [ 30, 35 ] }, { "item": "nail", "charges": [ 4, 6 ] } ] array
156 { "item": "nail", "charges": [ 2, 6 ] }, array
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| H A D | terrain-zlevel-transitions.json | 19 { "item": "nail", "charges": [ 0, 5 ] }, array
23 …"deconstruct": { "ter_set": "t_open_air", "items": [ { "item": "nail", "charges": [ 4, 8 ] }, { "i… array
37 "items": [ { "item": "nail", "charges": [ 12, 20 ] }, { "item": "2x4", "count": [ 2, 6 ] } ] array
47 { "item": "nail", "charges": [ 0, 5 ] }, array
70 { "item": "nail", "charges": [ 0, 5 ] }, array
88 { "item": "nail", "charges": [ 12, 20 ] }, array
102 { "item": "nail", "charges": [ 1, 5 ] }, array
304 { "item": "nail", "charges": [ 1, 5 ] }, array
326 { "item": "nail", "charges": [ 1, 5 ] }, array
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| /dports/games/cataclysm-dda/Cataclysm-DDA-0.F/data/json/ |
| H A D | professions.json | 6 …"entries": [ { "item": "stanag30", "ammo-item": "556", "charges": 30 }, { "item": "stanag30", "amm… number
12 …"entries": [ { "item": "mp5mag", "ammo-item": "9mm", "charges": 30 }, { "item": "mp5mag", "ammo-it… number
458 { "item": "45_acp", "charges": 23 }, number
461 { "item": "3006", "charges": 4 } number
942 "charges": 8, number
1039 "charges": 30, number
1515 "charges": 30, number
1587 { "item": "762_51", "charges": 20 }, number
1765 { "item": "nail", "charges": 180 }, number
2794 "charges": 600, number
[all …]
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| /dports/games/cataclysm-dda-tiles/Cataclysm-DDA-0.F/data/json/ |
| H A D | professions.json | 6 …"entries": [ { "item": "stanag30", "ammo-item": "556", "charges": 30 }, { "item": "stanag30", "amm… number
12 …"entries": [ { "item": "mp5mag", "ammo-item": "9mm", "charges": 30 }, { "item": "mp5mag", "ammo-it… number
458 { "item": "45_acp", "charges": 23 }, number
461 { "item": "3006", "charges": 4 } number
942 "charges": 8, number
1039 "charges": 30, number
1515 "charges": 30, number
1587 { "item": "762_51", "charges": 20 }, number
1765 { "item": "nail", "charges": 180 }, number
2794 "charges": 600, number
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/fast/ |
| H A D | testfmm.F | 226 subroutine direct_sum_at_charges(coords, charges, ncharge, pot) argument
229 double precision coords(3,*), charges(*), x, y, z, pot(ncharge) local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/fast/ |
| H A D | testfmm.F | 226 subroutine direct_sum_at_charges(coords, charges, ncharge, pot) argument
229 double precision coords(3,*), charges(*), x, y, z, pot(ncharge) local
|
| /dports/science/madness/madness-ebb3fd7/src/apps/chem/ |
| H A D | pcm.cc | 194 Tensor<double> PCM::nuclear_mep(int nr_nuclei, const Tensor<double>& charges, in nuclear_mep()
291 Tensor<double> PCM::nuclear_mep(int nr_nuclei, const Tensor<double>& charges, in nuclear_mep()
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| /dports/science/pcmsolver/pcmsolver-1.3.0/tests/C_host/ |
| H A D | C_host.c | 50 double charges[NR_NUCLEI] = {6.0, 1.0, 1.0, 6.0, 1.0, 1.0}; in main() local
|
| /dports/science/cdk/cdk-cdk-2.3/descriptor/qsarmolecular/src/main/java/org/openscience/cdk/qsar/descriptors/molecular/ |
| H A D | AutocorrelationDescriptorCharge.java | 52 double[] charges = new double[natom]; in listcharges() local
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| /dports/games/cataclysm-dda/Cataclysm-DDA-0.F/data/json/items/comestibles/ |
| H A D | alcohol.json | 24 "charges": 5, number
52 "charges": 5, number
80 "charges": 5, number
107 "charges": 5, number
133 "charges": 5, number
160 "charges": 5, number
187 "charges": 5, number
245 "charges": 7, number
270 "charges": 7, number
297 "charges": 7, number
[all …]
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| /dports/games/cataclysm-dda-tiles/Cataclysm-DDA-0.F/data/json/items/comestibles/ |
| H A D | alcohol.json | 24 "charges": 5, number
52 "charges": 5, number
80 "charges": 5, number
107 "charges": 5, number
133 "charges": 5, number
160 "charges": 5, number
187 "charges": 5, number
245 "charges": 7, number
270 "charges": 7, number
297 "charges": 7, number
[all …]
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| /dports/games/cataclysm-dda/Cataclysm-DDA-0.F/data/mods/Aftershock/items/comestibles/ |
| H A D | cheap_food.json | 16 "charges": 5, number
87 "charges": 2, number
103 "charges": 2, number
132 "charges": 3, number
150 "charges": 2, number
179 "charges": 4, number
|
| /dports/games/cataclysm-dda-tiles/Cataclysm-DDA-0.F/data/mods/Aftershock/items/comestibles/ |
| H A D | cheap_food.json | 16 "charges": 5, number
87 "charges": 2, number
103 "charges": 2, number
132 "charges": 3, number
150 "charges": 2, number
179 "charges": 4, number
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hirshfeld_methods.F | 87 SUBROUTINE write_hirshfeld_charges(charges, hirshfeld_env, particle_set, & argument
89 REAL(KIND=dp), DIMENSION(:, :), INTENT(inout) :: charges local
235 SUBROUTINE comp_hirshfeld_charges(qs_env, hirshfeld_env, charges) argument
238 REAL(KIND=dp), DIMENSION(:, :), INTENT(inout) :: charges local
327 SUBROUTINE comp_hirshfeld_i_charges(qs_env, hirshfeld_env, charges, ounit) argument
330 REAL(KIND=dp), DIMENSION(:, :), INTENT(inout) :: charges local
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hirshfeld_methods.F | 88 SUBROUTINE write_hirshfeld_charges(charges, hirshfeld_env, particle_set, & argument
90 REAL(KIND=dp), DIMENSION(:, :), INTENT(inout) :: charges local
236 SUBROUTINE comp_hirshfeld_charges(qs_env, hirshfeld_env, charges) argument
239 REAL(KIND=dp), DIMENSION(:, :), INTENT(inout) :: charges local
328 SUBROUTINE comp_hirshfeld_i_charges(qs_env, hirshfeld_env, charges, ounit) argument
331 REAL(KIND=dp), DIMENSION(:, :), INTENT(inout) :: charges local
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| /dports/science/apbs/apbs-pdb2pqr-apbs-1.5-102-g500c1473/pdb2pqr/pdb2pka/ |
| H A D | pMC_mult.cpp | 79 vector< vector<float> > charges; in calc_pKas() local
177 double MC::calc_pKa(vector<float> charges,vector<double> pHs,double acid_base) { in calc_pKa()
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| /dports/biology/mmseqs2/MMseqs2-13-45111/src/util/ |
| H A D | result2stats.cpp | 257 float charges(const char *seq) { in charges() function
258 static Charges charges; in charges() local
|
| /dports/science/plumed/plumed2-2.7.2/regtest/basic/rt-make-namd/ |
| H A D | main.cpp | 37 std::vector<double> charges; in main() local
|
| /dports/games/cataclysm-dda/Cataclysm-DDA-0.F/data/mods/BlazeIndustries/vehicleparts/ |
| H A D | blaze_other_parts.json | 88 { "item": "welder", "charges": 0, "prob": 50 }, number
89 { "item": "forge", "charges": 0, "prob": 50 }, number
90 { "item": "kiln", "charges": 0, "prob": 50 } number
129 { "item": "chemistry_set", "charges": 0, "prob": 50 }, number
131 { "item": "hotplate", "charges": 0, "prob": 50 } number
176 { "item": "chemistry_set", "charges": 0, "prob": 50 }, number
178 { "item": "hotplate", "charges": 0, "prob": 50 }, number
179 { "item": "water_purifier", "charges": 0, "prob": 50 }, number
180 { "item": "vac_sealer", "charges": 0, "prob": 50 }, number
181 { "item": "dehydrator", "charges": 0, "prob": 50 }, number
[all …]
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| /dports/games/cataclysm-dda-tiles/Cataclysm-DDA-0.F/data/mods/BlazeIndustries/vehicleparts/ |
| H A D | blaze_other_parts.json | 88 { "item": "welder", "charges": 0, "prob": 50 }, number
89 { "item": "forge", "charges": 0, "prob": 50 }, number
90 { "item": "kiln", "charges": 0, "prob": 50 } number
129 { "item": "chemistry_set", "charges": 0, "prob": 50 }, number
131 { "item": "hotplate", "charges": 0, "prob": 50 } number
176 { "item": "chemistry_set", "charges": 0, "prob": 50 }, number
178 { "item": "hotplate", "charges": 0, "prob": 50 }, number
179 { "item": "water_purifier", "charges": 0, "prob": 50 }, number
180 { "item": "vac_sealer", "charges": 0, "prob": 50 }, number
181 { "item": "dehydrator", "charges": 0, "prob": 50 }, number
[all …]
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