| /dports/science/lammps/lammps-stable_29Sep2021/doc/src/ |
| H A D | fix_adapt_fep.rst | 11 fix ID group-ID adapt/fep N attribute args ... keyword value ...
25 v_name = variable with name that calculates value of pparam
33 * zero or more keyword/value pairs may be appended
34 * keyword = *scale* or *reset* or *after*
69 with two differences,
101 If the *after* keyword is set to *yes*, then the parameters are
187 pair\_\*.cpp file associated with the potential.
217 (inclusive). Note that only type pairs with I <= J are considered; if
225 The *v_name* argument for keyword *pair* is the name of an
254 The *kspace* keyword works this way whether the *scale* keyword
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| H A D | fix_adapt.rst | 25 v_name = variable with name that calculates value of pparam
30 v_name = variable with name that calculates value of bparam
37 * zero or more keyword/value pairs may be appended
38 * keyword = *scale* or *reset* or *mass*
83 are made every *N* steps during the simulation, presumably with a
212 the pair\_\*.cpp file associated with the potential.
247 (inclusive). Note that only type pairs with I <= J are considered; if
295 working with fix_adapt are
318 The *kspace* keyword works this way whether the *scale* keyword
387 correctly. An exception is if the *atom* keyword is being used with
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| H A D | compute_fep.rst | 11 compute ID group-ID fep temp attribute args ... keyword value ...
16 * one or more attributes with args may be appended
31 * zero or more keyword/value pairs may be appended
32 * keyword = *tail* or *volume*
225 the pair\_\*.cpp file associated with the potential.
232 with the I,J arguments to set the coefficients for multiple pairs of
238 (inclusive). Note that only type pairs with I <= J are considered; if
246 The *v_name* argument for keyword *pair* is the name of an
259 The *v_name* argument for keyword *pair* is the name of an
266 The *tail* keyword controls the calculation of the tail correction to
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| H A D | special_bonds.rst | 11 special_bonds keyword values ...
13 * one or more keyword/value pairs may be appended
96 factor on 1-2 atom pairs, which are pairs of atoms directly bonded to
121 :doc:`delete_bonds <delete_bonds>` command is used with the *special*
147 LJ and Coulombic interactions, which is consistent with a
148 coarse-grained polymer model with :doc:`FENE bonds <bond_fene>`. See
162 weighting factor is set to 0.5 and you have a linear molecule with 4
177 with 5 atoms and bonds as follows: 1-2-3-4-5. If your data file
191 LAMMPS stores and maintains a data structure with a list of the
194 atoms with more special neighbors), the size of this list needs to
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| H A D | delete_atoms.rst | 11 delete_atoms style args keyword value ...
28 * zero or more keyword/value pairs may be appended
29 * keyword = *compress* or *bond* or *mol*
60 keyword discussion below.
62 For style *overlap* pairs of atoms whose distance of separation is
64 2 atoms is deleted. Only pairs where one of the two atoms is in the
74 have occurred that no atom pairs within the cutoff will remain
86 If the *compress* keyword is set to *yes*, then after atoms are
113 It the *bond* keyword is set to *yes* then any bond or angle or
120 It the *mol* keyword is set to *yes*, then for every atom that is
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| H A D | compute_pair_local.rst | 11 compute ID group-ID pair/local value1 value2 ... keyword args ...
26 * zero or more keyword/arg pairs may be appended
27 * keyword = *cutoff*
84 2 of them have additional output (with 3 and 4 quantities,
97 The optional *cutoff* keyword determines how the force cutoff distance
126 For pairs, if two atoms I,J are involved in 1-2, 1-3, 1-4
130 specifically, this will be true of I,J pairs with a weighting factor
131 of 0.0; pairs with a non-zero weighting factor are included. The
135 :doc:`kspace_style <kspace_style>` command, then atom pairs with
146 array is the number of pairs. If a single keyword is specified, a
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| H A D | pair_tracker.rst | 11 pair_style tracker keyword
13 * zero or more keyword/arg pairs may be appended
14 * keyword = *finite*
42 style with another pair style. Style *tracker* must be used in conjunction
43 with about :doc:`fix pair_tracker <fix_pair_tracker>` which contains
46 If the *finite* keyword is not defined, the following coefficients must be
54 If the *finite* keyword is defined, no coefficients may be defined.
62 For atom type pairs I,J and I != J, the cutoff coefficient and cutoff
83 This pair style is currently incompatible with granular pair styles that extend
87 was built with that package. See the :doc:`Build package <Build_package>` page for more info.
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| H A D | compute_centro_atom.rst | 11 compute ID group-ID centro/atom lattice keyword value ...
16 * zero or more keyword/value pairs may be appended
17 * keyword = *axes*
58 :math:`N (N-1)/2` possible neighbor pairs that can contribute to this
60 :math:`N/2` smallest are used. This will typically be for pairs of
61 atoms in symmetrically opposite positions with respect to the central
81 first two of these are the vectors joining the two pairs of neighbor
82 atoms with smallest contributions to the centrosymmetry parameter,
83 i.e. the two most symmetric pairs of atoms. The third vector is
101 too frequently or to have multiple compute/dump commands, each with a
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| H A D | fix_momentum.rst | 18 fix ID group-ID momentum N keyword values ...
23 one or more keyword/value pairs may be appended
24 * keyword = *linear* or *angular* or *rescale*
26 fix ID group-ID momentum/chunk N chunkID keyword values ...
33 one or more keyword/value pairs may be appended
34 * keyword = *linear* or *angular* or *rescale*
62 If the *linear* keyword is used, the linear momentum is zeroed by
68 If the *angular* keyword is used, the angular momentum is zeroed by
80 initial velocities with zero aggregate linear and/or angular momentum.
93 No parameter of this fix can be used with the *start/stop* keywords of
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| H A D | hyper.rst | 11 hyper N Nevent fix-ID compute-ID keyword values ...
17 * zero or more keyword/value pairs may be appended
18 * keyword = *min* or *dump* or *rebond*
45 accelerated by application of a bias potential to one or more pairs of
92 The list of bonds is the list of atom pairs of atoms that are within a
113 :doc:`min_modify <min_modify>` command and by the *min* keyword of the
127 If this happens, the list of bonds is reset, since some bond pairs
128 are likely now too far apart, and new pairs are likely close enough
142 As explained above, the *min* keyword can be used to specify
146 The *dump* keyword can be used to trigger a specific dump command with
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| H A D | compute_group_group.rst | 11 compute ID group-ID group/group group2-ID keyword value ...
16 * zero or more keyword/value pairs may be appended
17 * keyword = *pair* or *kspace* or *boundary* or *molecule*
44 as the pairwise energy between all pairs of atoms where one atom in
48 interactions with atoms in the specified group2.
56 If the *molecule* keyword is set to *inter* or *intra* than an
69 long-range Coulombic interactions with atoms in the specified group2.
109 means those pairs will not be included in the group/group interaction.
117 that includes all pairs in the neighbor list.
120 Kspace component, simply invoke the compute twice with the appropriate
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| H A D | compute_property_local.rst | 11 compute ID group-ID property/local attribute1 attribute2 ... keyword args ...
41 * zero or more keyword/arg pairs may be appended
42 * keyword = *cutoff*
63 pairs, angles, etc.
83 The optional *cutoff* keyword determines how the force cutoff distance
105 type negative are written into the file. This is consistent with the
124 For pairs, if two atoms I,J are involved in 1-2, 1-3, 1-4
128 specifically, this may be true of I,J pairs with a weighting factor of
129 0.0; pairs with a non-zero weighting factor are included. The
139 The attributes that start with "a", "d", "i", refer to similar values
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| H A D | compute_hexorder_atom.rst | 11 compute ID group-ID hexorder/atom keyword values ...
15 * one or more keyword/value pairs may be appended
19 keyword = *degree* or *nnn* or *cutoff*
55 The optional keyword *cutoff* defines the distance cutoff
60 The optional keyword *nnn* defines the number of nearest
65 The optional keyword *degree* sets the degree *n* of the order parameter.
66 The default value is 6. For a perfect hexagonal lattice with
72 decays quickly with distance, the value of :math:`\phi` will be different for
93 those pairs will not be included in the order parameter. This
97 :doc:`special_bonds <special_bonds>` command that includes all pairs in
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| /dports/math/R-cran-psych/psych/man/ |
| H A D | pairs.panels.Rd | 1 \name{pairs.panels}
2 \alias{pairs.panels}
13 …escription{Adapted from the help page for pairs, pairs.panels shows a scatter plot of matrices (S…
34 \item{\dots}{other options for pairs }
52 …pairs}} which is the base from which pairs.panels is derived, \code{\link{cor.plot}} to do a heat …
55 pairs.panels(attitude) #see the graphics window
63 pairs.panels(sat.act,show.points=FALSE)
65 #show many variables with 0 gap between scatterplots
67 pairs.panels(bfi,show.points=FALSE,gap=0)
70 \keyword{multivariate }% at least one, from doc/KEYWORDS
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| H A D | biplot.psych.Rd | 4 …pairs of factors are plotted. Factor score histograms are plotted on the diagonal. The input is th…
12 …\item{x}{The output from \code{\link{fa}} or \code{\link{principal}} with the scores=TRUE option}
13 …\item{labels}{if NULL, draw the points with small o. To identify the data points, specify labels=…
22 …alysis \code{\link{principal}} and plot the factor/component scores along with the factor/componen…
28 \seealso{\code{\link{fa}}, \code{\link{principal}}, \code{\link{factor.plot}}, \code{\link{pairs.pa…
41 \keyword{multivariate }
42 \keyword{hplot }% __ONLY ONE__ keyword per line
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| /dports/science/lammps/lammps-stable_29Sep2021/examples/PACKAGES/cgdna/ |
| H A D | README | 11 consisiting of 5 base pairs. The duplex contains two strands with
12 complementary base pairs. The topology is
19 are sequence-averaged (cf. keyword 'seqav' in according pair styles).
27 consisiting of 8 base pairs. The duplex contains strands with
28 complementary base pairs, but the backbone on one side is not continuous:
29 two individual strands on one side form a duplex with a longer single
37 are sequence-averaged (cf. keyword 'seqav' in according pair styles).
43 This example uses the duplex1 with sequence-dependent stacking and
53 are sequence-dependent (cf. keyword 'seqdep' in according pair styles).
85 This example uses the duplex2 with the oxRNA2 force field instead of oxDNA or
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| /dports/lang/racket/racket-8.3/collects/racket/contract/private/ |
| H A D | arr-util.rkt | 19 (and (keyword? ele)
58 ;; given a sequence of keywords interpersed with other
69 (and (keyword? (syntax-e #'kwd))
75 (and (keyword? (syntax-e #'kwd))
76 (keyword? (syntax-e #'arg)))
82 (keyword? (syntax-e #'kwd))
92 (define (sort-keywords stx kwd/ctc-pairs)
108 [(keyword<? x-kwd fst-kwd)
112 (let loop ([pairs kwd/ctc-pairs])
114 [(null? pairs) null]
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| /dports/lang/racket-minimal/racket-8.3/collects/racket/contract/private/ |
| H A D | arr-util.rkt | 19 (and (keyword? ele)
58 ;; given a sequence of keywords interpersed with other
69 (and (keyword? (syntax-e #'kwd))
75 (and (keyword? (syntax-e #'kwd))
76 (keyword? (syntax-e #'arg)))
82 (keyword? (syntax-e #'kwd))
92 (define (sort-keywords stx kwd/ctc-pairs)
108 [(keyword<? x-kwd fst-kwd)
112 (let loop ([pairs kwd/ctc-pairs])
114 [(null? pairs) null]
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| /dports/lang/racket/racket-8.3/share/pkgs/compatibility-lib/mzlib/private/ |
| H A D | contract-arrow.rkt | 42 ;; quoted-keywords : (listof keyword) -- must be sorted by keyword<
133 (define-for-syntax (sort-keywords stx kwd/ctc-pairs)
150 (let loop ([pairs (map syntax->list kwd/ctc-pairs)])
152 [(null? pairs) null]
153 [else (insert (car pairs) (loop (cdr pairs)))])))
176 (keyword? (syntax-e #'kwd))
190 …(with-syntax ([(keyword-call/ctc ...) (apply append (map syntax->list (syntax->list #'((dom-kwd (d…
248 (with-syntax ([outer-lambda
281 …(with-syntax ([(keyword-formal-parameters ...) (apply append (map syntax->list (syntax->list #'((d…
304 (with-syntax ([inner-lambda (with-syntax ([(args body) inner-args/body])
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| /dports/lang/racket/racket-8.3/share/pkgs/compatibility-doc/mzlib/scribblings/ |
| H A D | kw.scrbl | 61 Like @racket[lambda], but with optional and keyword-based argument
110 @math{n} required arguments, and with no keyword arguments or
134 If it is used with optional arguments, then the keyword specifications
146 optional arguments and a keyword argument @racket[#:x] is called with
203 keyword-value pairs, exactly as they are specified at the call site.
213 arguments after keyword--value pairs. (This is different from
279 call site to pass plain values after the keyword-value pairs. The
281 keyword-value pairs as sort of an attribute list before the actual
353 values associated with same keyword, the first one is used.}
365 pairs.}
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| /dports/math/R-cran-igraph/igraph/man/ |
| H A D | dyad_census.Rd | 14 A named numeric vector with three elements: \item{mut}{The number of
15 pairs with mutual connections.} \item{asym}{The number of pairs with
16 non-mutual connections.} \item{null}{The number of pairs with no connection
38 \code{\link{triad_census}} for the same classification, but with
44 \keyword{graphs}
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| /dports/science/dakota/dakota-6.13.0-release-public.src-UI/docs/KeywordMetadata/ |
| H A D | DUPLICATE-gen_reliabilities | 2 Computes generalized reliabilities associated with response levels
5 The \c gen_reliabilities keyword directs Dakota to compute generalized reliabilities according to t…
9 … this behavior, the \c gen_reliabilities keyword should be specified in conjunction with the \c co…
13 The Dakota output is a set of response level-generalized reliability pairs according to the distrib…
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| H A D | DUPLICATE-reliabilities | 2 Computes reliabilities associated with response levels
5 The \c reliabilities keyword directs Dakota to compute reliabilities according to the specified dis…
9 …ange this behavior, the \c reliabilities keyword should be specified in conjunction with the \c co…
13 The Dakota output is a set of response level-reliability pairs according to the distribution define…
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| H A D | DUPLICATE-probabilities | 2 Computes probabilities associated with response levels
5 The \c probabilities keyword directs Dakota to compute the probability that the model response will…
9 …input file, though, the \c probabilities keyword should be specified in conjunction with the \c co…
13 The Dakota output is a set of response level-probability pairs that give the probability that the m…
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| /dports/devel/R-cran-Hmisc/Hmisc/man/ |
| H A D | rcorr.Rd | 7 \code{rho} rank correlation coefficients for all possible pairs of
8 columns of a matrix. Missing values are deleted in pairs rather than
20 a numeric matrix with at least 5 rows and at least 2 columns (if
36 \code{rcorr} returns a list with elements \code{r}, the
40 Pairs with fewer than 2 non-missing values have the r values set to NA.
76 \keyword{nonparametric}
77 \keyword{htest}
78 \keyword{category}
|