/dports/sysutils/istio/istio-1.6.7/vendor/github.com/openshift/api/vendor/gonum.org/v1/gonum/unit/ |
H A D | charge.go | 17 type Charge float64 type 20 Yottacoulomb Charge = 1e24 21 Zettacoulomb Charge = 1e21 22 Exacoulomb Charge = 1e18 25 Gigacoulomb Charge = 1e9 26 Megacoulomb Charge = 1e6 27 Kilocoulomb Charge = 1e3 28 Hectocoulomb Charge = 1e2 29 Decacoulomb Charge = 1e1 30 coulomb Charge = 1.0 [all …]
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/dports/devel/py-cclib/cclib-1.7.1/data/DALTON/basicDALTON-2015/ |
H A D | Trp_polar_abalnr.dal | 6 Charge=7.0 Atoms=1 8 Charge=6.0 Atoms=2 11 Charge=8.0 Atoms=1 13 Charge=6.0 Atoms=1 15 Charge=1.0 Atoms=2 18 Charge=6.0 Atoms=2 21 Charge=7.0 Atoms=1 23 Charge=1.0 Atoms=1 25 Charge=6.0 Atoms=3 29 Charge=1.0 Atoms=1 [all …]
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H A D | dvb_sp_un_hf.dal | 5 AtomTypes=6 Angstrom Charge=+1 6 Charge=6.0 Atoms=6 13 Charge=1.0 Atoms=4 18 Charge=6.0 Atoms=2 21 Charge=1.0 Atoms=2 24 Charge=6.0 Atoms=2 27 Charge=1.0 Atoms=4
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H A D | dvb_sp_un_ks.dal | 5 AtomTypes=6 Angstrom Charge=+1 6 Charge=6.0 Atoms=6 13 Charge=1.0 Atoms=4 18 Charge=6.0 Atoms=2 21 Charge=1.0 Atoms=2 24 Charge=6.0 Atoms=2 27 Charge=1.0 Atoms=4
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H A D | dvb_gopt_hf.dal | 6 Charge=6.0 Atoms=6 13 Charge=1.0 Atoms=4 18 Charge=6.0 Atoms=2 21 Charge=1.0 Atoms=2 24 Charge=6.0 Atoms=2 27 Charge=1.0 Atoms=4
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H A D | dvb_gopt_ks.dal | 6 Charge=6.0 Atoms=6 13 Charge=1.0 Atoms=4 18 Charge=6.0 Atoms=2 21 Charge=1.0 Atoms=2 24 Charge=6.0 Atoms=2 27 Charge=1.0 Atoms=4
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H A D | dvb_sp_hf.dal | 6 Charge=6.0 Atoms=6 13 Charge=1.0 Atoms=4 18 Charge=6.0 Atoms=2 21 Charge=1.0 Atoms=2 24 Charge=6.0 Atoms=2 27 Charge=1.0 Atoms=4
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/dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/rt_tddft_dimer_charge/ |
H A D | rt_tddft_dimer_charge.out | 23 ## molecules. Note that output "Charge" corresponds to total 24 ## electronic charge, i.e., neutral H2 has Charge = -2.0, whereas -1 25 ## H2 has Charge = -3.0. The overall dimer has Charge = -5.0. 218 No. Tag Charge X Y Z 256 No. Tag Charge X Y Z 294 No. Tag Charge X Y Z 369 Charge : -1 714 Charge : 0 1064 Charge : -1 1492 Charge : -1 [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/rt_tddft_dimer_charge/ |
H A D | rt_tddft_dimer_charge.out | 23 ## molecules. Note that output "Charge" corresponds to total 24 ## electronic charge, i.e., neutral H2 has Charge = -2.0, whereas -1 25 ## H2 has Charge = -3.0. The overall dimer has Charge = -5.0. 218 No. Tag Charge X Y Z 256 No. Tag Charge X Y Z 294 No. Tag Charge X Y Z 369 Charge : -1 714 Charge : 0 1064 Charge : -1 1492 Charge : -1 [all …]
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/dports/graphics/blender/blender-2.91.0/release/scripts/addons/io_mesh_atomic/ |
H A D | atom_info.dat | 16 Charge state : -1 52 Charge state : 1 71 Charge state : 1 73 Charge state : 2 92 Charge state : 1 94 Charge state : 3 115 Charge state : 4 136 Charge state : 1 138 Charge state : 3 140 Charge state : 5 [all …]
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/dports/finance/py-stripe/stripe-2.29.4/tests/api_resources/ |
H A D | test_charge.py | 11 resources = stripe.Charge.list() 21 assert isinstance(resource, stripe.Charge) 24 resource = stripe.Charge.create( 28 assert isinstance(resource, stripe.Charge) 39 resource = stripe.Charge.modify( 45 assert isinstance(resource, stripe.Charge) 53 assert isinstance(resource, stripe.Charge) 61 assert isinstance(resource, stripe.Charge) 68 assert isinstance(resource, stripe.Charge) 94 assert isinstance(resource, stripe.Charge) [all …]
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/test/pehf_border/ |
H A D | chromophore.mol | 6 Charge=6.0 Atoms=1 8 Charge=8.0 Atoms=1 10 Charge=7.0 Atoms=1 12 Charge=6.0 Atoms=3 16 Charge=8.0 Atoms=1 18 Charge=7.0 Atoms=1 20 Charge=6.0 Atoms=2 23 Charge=8.0 Atoms=1 25 Charge=6.0 Atoms=7 33 Charge=8.0 Atoms=1 [all …]
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/dports/net/storj/storj-1.45.3/vendor/github.com/stripe/stripe-go/v72/charge/ |
H A D | client.go | 20 func New(params *stripe.ChargeParams) (*stripe.Charge, error) { 25 func (c Client) New(params *stripe.ChargeParams) (*stripe.Charge, error) { 26 charge := &stripe.Charge{} 32 func Get(id string, params *stripe.ChargeParams) (*stripe.Charge, error) { 39 charge := &stripe.Charge{} 45 func Update(id string, params *stripe.ChargeParams) (*stripe.Charge, error) { 52 charge := &stripe.Charge{} 58 func Capture(id string, params *stripe.CaptureParams) (*stripe.Charge, error) { 65 charge := &stripe.Charge{} 96 func (i *Iter) Charge() *stripe.Charge { func [all …]
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/dports/www/grafana8/grafana-8.3.6/vendor/gonum.org/v1/gonum/unit/ |
H A D | charge.go | 17 type Charge float64 type 19 const Coulomb Charge = 1 22 func (ch Charge) Unit() *Unit { 30 func (ch Charge) Charge() Charge { func 36 func (ch *Charge) From(u Uniter) error { 38 *ch = Charge(math.NaN()) 41 *ch = Charge(u.Unit().Value()) 45 func (ch Charge) Format(fs fmt.State, c rune) {
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/src/tools/references/spce/3mols/ |
H A D | csg_dump_tpr.out | 12 0 Name 1:SOL:OW Type opls_116 Mass 15.9994 Resnr 0 Resname SOL Charge -0.8476 13 1 Name 1:SOL:HW1 Type opls_117 Mass 1.008 Resnr 0 Resname SOL Charge 0.4238 14 2 Name 1:SOL:HW2 Type opls_117 Mass 1.008 Resnr 0 Resname SOL Charge 0.4238 16 3 Name 1:SOL:OW Type opls_116 Mass 15.9994 Resnr 0 Resname SOL Charge -0.8476 17 4 Name 1:SOL:HW1 Type opls_117 Mass 1.008 Resnr 0 Resname SOL Charge 0.4238 18 5 Name 1:SOL:HW2 Type opls_117 Mass 1.008 Resnr 0 Resname SOL Charge 0.4238 20 6 Name 1:SOL:OW Type opls_116 Mass 15.9994 Resnr 0 Resname SOL Charge -0.8476 21 7 Name 1:SOL:HW1 Type opls_117 Mass 1.008 Resnr 0 Resname SOL Charge 0.4238 22 8 Name 1:SOL:HW2 Type opls_117 Mass 1.008 Resnr 0 Resname SOL Charge 0.4238
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/dports/science/votca/votca-2021.2-18560-gfbe18d971/csg/csg-da5c1dc/src/tools/references/spce/3mols/ |
H A D | csg_dump_tpr.out | 12 0 Name 1:SOL:OW Type opls_116 Mass 15.9994 Resnr 0 Resname SOL Charge -0.8476 13 1 Name 1:SOL:HW1 Type opls_117 Mass 1.008 Resnr 0 Resname SOL Charge 0.4238 14 2 Name 1:SOL:HW2 Type opls_117 Mass 1.008 Resnr 0 Resname SOL Charge 0.4238 16 3 Name 1:SOL:OW Type opls_116 Mass 15.9994 Resnr 0 Resname SOL Charge -0.8476 17 4 Name 1:SOL:HW1 Type opls_117 Mass 1.008 Resnr 0 Resname SOL Charge 0.4238 18 5 Name 1:SOL:HW2 Type opls_117 Mass 1.008 Resnr 0 Resname SOL Charge 0.4238 20 6 Name 1:SOL:OW Type opls_116 Mass 15.9994 Resnr 0 Resname SOL Charge -0.8476 21 7 Name 1:SOL:HW1 Type opls_117 Mass 1.008 Resnr 0 Resname SOL Charge 0.4238 22 8 Name 1:SOL:HW2 Type opls_117 Mass 1.008 Resnr 0 Resname SOL Charge 0.4238
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/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/test/pehf_1pa_pp/ |
H A D | formamide.mol | 4 AtomTypes=6 Charge=0 NoSymmetry Angstrom 5 Charge=8 Atoms=1 Basis=3-21++G 7 Charge=6 Atoms=1 Basis=3-21++G 9 Charge=7 Atoms=1 Basis=3-21++G 11 Charge=1 Atoms=3 Basis=3-21++G 15 Charge=8 Atoms=1 Basis=pointcharge ECP=pe_pp 17 Charge=1 Atoms=2 Basis=pointcharge ECP=pe_pp
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/dports/devel/py-cclib/cclib-1.7.1/data/DALTON/basicDALTON-2013/ |
H A D | dvb_sp_un_ks.dal | 5 AtomTypes=6 Angstrom Charge=+1 6 Charge=6.0 Atoms=6 13 Charge=1.0 Atoms=4 18 Charge=6.0 Atoms=2 21 Charge=1.0 Atoms=2 24 Charge=6.0 Atoms=2 27 Charge=1.0 Atoms=4
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H A D | dvb_sp_un_hf.dal | 5 AtomTypes=6 Angstrom Charge=+1 6 Charge=6.0 Atoms=6 13 Charge=1.0 Atoms=4 18 Charge=6.0 Atoms=2 21 Charge=1.0 Atoms=2 24 Charge=6.0 Atoms=2 27 Charge=1.0 Atoms=4
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H A D | dvb_gopt_hf.dal | 6 Charge=6.0 Atoms=6 13 Charge=1.0 Atoms=4 18 Charge=6.0 Atoms=2 21 Charge=1.0 Atoms=2 24 Charge=6.0 Atoms=2 27 Charge=1.0 Atoms=4
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H A D | dvb_gopt_ks.dal | 6 Charge=6.0 Atoms=6 13 Charge=1.0 Atoms=4 18 Charge=6.0 Atoms=2 21 Charge=1.0 Atoms=2 24 Charge=6.0 Atoms=2 27 Charge=1.0 Atoms=4
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H A D | dvb_sp_hf.dal | 6 Charge=6.0 Atoms=6 13 Charge=1.0 Atoms=4 18 Charge=6.0 Atoms=2 21 Charge=1.0 Atoms=2 24 Charge=6.0 Atoms=2 27 Charge=1.0 Atoms=4
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H A D | dvb_ir.dal | 6 Charge=6.0 Atoms=6 13 Charge=1.0 Atoms=4 18 Charge=6.0 Atoms=2 21 Charge=1.0 Atoms=2 24 Charge=6.0 Atoms=2 27 Charge=1.0 Atoms=4
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/dports/biology/babel/babel-1.6/ |
H A D | wrmaccs.c | 34 switch ((int) Charge(i)) in write_maccs() 37 Charge(i) = 1.0; in write_maccs() 40 Charge(i) = 3.0; in write_maccs() 43 Charge(i) = 5.0; in write_maccs() 46 Charge(i) = 6.0; in write_maccs() 49 Charge(i) = 7.0; in write_maccs() 59 (int)Charge(i)); in write_maccs()
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H A D | gastchg.c | 99 input_chg[i] = Charge(i); in calc_sigma_charges() 116 Charge(i) = 1.0; in calc_sigma_charges() 122 Charge(i) = 1.0; in calc_sigma_charges() 126 Charge(i) = 1.0; in calc_sigma_charges() 130 Charge(i) = -0.5; in calc_sigma_charges() 133 Charge(i) = 0.0; in calc_sigma_charges() 148 q1 = Charge(i); in calc_sigma_charges() 162 Charge(i) = Charge(i) + (xx[t] - xx[i])/d2*z1; in calc_sigma_charges() 166 q1 = fabs(Charge(i) - q1); in calc_sigma_charges() 174 xx[i] = atm_par[i].a + atm_par[i].b * Charge(i) + atm_par[i].c * SQUARE(Charge(i)); in calc_sigma_charges() [all …]
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