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/dports/lang/racket-minimal/racket-8.3/src/ChezScheme/s/
H A D5_2.ss74 (define improper-list-error
89 (define index-range/improper-list-error
338 (define improper-alist
401 (define improper-list
403 ($oops who "improper list ~s" ls)))
501 (define improper-list
540 (improper-list 'remq ls))))
547 (improper-list 'remv ls))))
559 (improper-list 'remove ls))))
589 (improper-list 'remp ls))))
[all …]
/dports/lang/racket/racket-8.3/share/pkgs/trace/
H A Dcalltrace-lib.rkt20 (define (print-call-trace inferred-name original? src args improper? depth)
23 (if improper?
24 (list->improper-list args)
59 (define (list->improper-list a)
60 …(cond [(null? a) (error 'list->improper-list "list->improper-list called with null argument: ~e" a…
62 [else (cons (car a) (list->improper-list (cdr a)))]))
/dports/mail/postfix-current/postfix-3.7-20211107/src/global/
H A Dmime_8bit.ref1 mime_state: warning: improper use of 8-bit data in message header: Header: f??bar
5 mime_state: warning: improper use of 8-bit data in message body: b?dy
8 mime_state: warning: improper use of 8-bit data in message header
9 mime_state: warning: improper use of 8-bit data in message body
/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/
H A Dmin_kokkos.cpp196 if (force->improper) { in setup()
197 atomKK->sync(force->improper->execution_space,force->improper->datamask_read); in setup()
198 force->improper->compute(eflag,vflag); in setup()
199 atomKK->modified(force->improper->execution_space,force->improper->datamask_modify); in setup()
303 if (force->improper) { in setup_minimal()
304 atomKK->sync(force->improper->execution_space,force->improper->datamask_read); in setup_minimal()
305 force->improper->compute(eflag,vflag); in setup_minimal()
306 atomKK->modified(force->improper->execution_space,force->improper->datamask_modify); in setup_minimal()
482 if (force->improper) { in energy_force()
483 atomKK->sync(force->improper->execution_space,force->improper->datamask_read); in energy_force()
[all …]
/dports/science/tinker/tinker/params/
H A Dsmoothua.prm1001 improper 1 5 3 2 60.00 0.00
1002 improper 1 6 3 2 60.00 0.00
1003 improper 1 7 3 2 60.00 0.00
1004 improper 1 9 12 2 60.00 0.00
1005 improper 1 14 3 2 60.00 0.00
1006 improper 1 27 3 2 60.00 0.00
1007 improper 1 29 3 2 60.00 0.00
1008 improper 1 64 3 2 60.00 0.00
1009 improper 1 70 3 2 60.00 0.00
1010 improper 3 1 5 4 5.50 0.00
[all …]
H A Dcharmm22cmap.prm755 improper 10 13 24 34 120.00 0.00
756 improper 10 13 25 34 90.00 0.00
757 improper 10 13 27 34 120.00 0.00
758 improper 10 14 24 34 120.00 0.00
759 improper 10 14 25 34 90.00 0.00
760 improper 10 14 27 34 120.00 0.00
761 improper 10 15 24 34 120.00 0.00
762 improper 10 15 25 34 90.00 0.00
763 improper 10 15 27 34 120.00 0.00
764 improper 10 16 24 34 120.00 0.00
[all …]
H A Dcharmm22.prm749 improper 10 13 24 34 120.00 0.00
750 improper 10 13 25 34 90.00 0.00
751 improper 10 13 27 34 120.00 0.00
752 improper 10 14 24 34 120.00 0.00
753 improper 10 14 25 34 90.00 0.00
754 improper 10 14 27 34 120.00 0.00
755 improper 10 15 24 34 120.00 0.00
756 improper 10 15 25 34 90.00 0.00
757 improper 10 15 27 34 120.00 0.00
758 improper 10 16 24 34 120.00 0.00
[all …]
H A Dcharmm19.prm400 improper 4 4 4 7 90.00 0.00
401 improper 4 5 10 17 100.00 0.00
402 improper 4 5 11 17 100.00 0.00
403 improper 4 6 10 17 100.00 0.00
404 improper 4 6 11 17 100.00 0.00
405 improper 4 7 10 17 100.00 0.00
406 improper 4 7 11 17 100.00 0.00
407 improper 4 9 4 6 90.00 0.00
408 improper 4 9 9 6 90.00 0.00
409 improper 4 9 9 19 150.00 0.00
[all …]
/dports/math/R-cran-magic/magic/man/
H A Dlatin.Rd5 \alias{is.incidence.improper}
17 is.incidence(a, include.improper)
18 is.incidence.improper(a)
28 \item{n,include.improper,size,start,burnin}{Various control arguments;
37 incidence array; if argument \code{include.improper} is \code{TRUE},
38 admit an improper array
39 \item Function \code{is.incidence.improper()} tests for an array
40 being an improper array
77 An \dfn{improper} incidence cube is an incidence cube that includes a
/dports/science/lammps/lammps-stable_29Sep2021/doc/src/
H A Dimproper_cossq.rst27 The *cossq* improper style uses the potential
33 where :math:`\chi` is the improper angle, :math:`\chi_0` is its
36 If the 4 atoms in an improper quadruplet (listed in the data file read
46 improper to be defined between the 4 atoms.
48 The following coefficients must be defined for each improper type via
66 This improper style can only be used if LAMMPS was built with the
H A Dimproper_distance.rst24 The *distance* improper style uses the potential
31 by the other three atoms. If the 4 atoms in an improper quadruplet
42 improper to be defined between the 4 atoms.
44 The following coefficients must be defined for each improper type via
56 This improper style can only be used if LAMMPS was built with the
H A Dcreate_bonds.rst32 *single/improper* args = itype iatom1 iatom2 iatom3 iatom4
33 itype = improper type of new improper
34 iatom1,iatom2,iatom3,iatom4 = atom IDs for four atoms in improper
53 create_bonds single/improper 3 23 26 31 57
62 The new bond (angle, dihedral, improper) interactions will then be computed
78 Note that this command does not auto-create any angle, dihedral or improper
173 The *single/improper* style creates a single improper of type *itype*
177 linearly within the improper. *itype* must be a value between 1 and
178 the number of improper types defined.
184 improper is added to the system.
[all …]
H A Dimproper_class2.rst29 The *class2* improper style uses the potential
39 where :math:`E_i` is the improper term and :math:`E_{aa}` is an
43 The 4 atoms in an improper quadruplet (listed in the data file read by
61 would exist for an improper to be defined between the 4 atoms, but
64 See :ref:`(Sun) <improper-Sun>` for a description of the COMPASS class2 force field.
68 improper type via the :doc:`improper_coeff <improper_coeff>` command as
87 i.e. only list 6 coefficients after the improper type.
110 This improper style can only be used if LAMMPS was built with the
H A Dimproper_ring.rst27 The *ring* improper style uses the potential
40 If the 4 atoms in an improper quadruplet (listed in the data file read
46 The "ring" improper style implements the improper potential introduced
56 The following coefficients must be defined for each improper type via
74 This improper style can only be used if LAMMPS was built with the
H A Dimproper_sqdistharm.rst24 The *sqdistharm* improper style uses the potential
31 by the other three atoms. If the 4 atoms in an improper quadruplet
37 The following coefficients must be defined for each improper type via
51 This improper style can only be used if LAMMPS was built with the
H A Dimproper_distharm.rst24 The *distharm* improper style uses the potential
31 by the other three atoms. If the 4 atoms in an improper quadruplet
38 The following coefficients must be defined for each improper type via
50 This improper style can only be used if LAMMPS was built with the
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-8/
H A Dwater.gtop102 # NQTY: number of improper dihedrals
104 # CQ: force constant of improper dihedral per degrees square
105 # Q0: improper dihedral angle at minimum energy in degrees
109 # NQHIH: number of improper dihedrals
113 # of atoms forming an improper dihedral
114 # ICQH: improper dihedral type code
118 # NQHI: number of improper dihedrals NOT
122 # forming an improper dihedral
123 # ICQ: improper dihedral type code
H A Dala-wat.gtop176 # NQTY: number of improper dihedrals
178 # CQ: force constant of improper dihedral per degrees square
179 # Q0: improper dihedral angle at minimum energy in degrees
183 # NQHIH: number of improper dihedrals
187 # of atoms forming an improper dihedral
188 # ICQH: improper dihedral type code
192 # NQHI: number of improper dihedrals NOT
196 # forming an improper dihedral
197 # ICQ: improper dihedral type code
/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/regtest-8/
H A Dwater.gtop102 # NQTY: number of improper dihedrals
104 # CQ: force constant of improper dihedral per degrees square
105 # Q0: improper dihedral angle at minimum energy in degrees
109 # NQHIH: number of improper dihedrals
113 # of atoms forming an improper dihedral
114 # ICQH: improper dihedral type code
118 # NQHI: number of improper dihedrals NOT
122 # forming an improper dihedral
123 # ICQ: improper dihedral type code
H A Dala-wat.gtop176 # NQTY: number of improper dihedrals
178 # CQ: force constant of improper dihedral per degrees square
179 # Q0: improper dihedral angle at minimum energy in degrees
183 # NQHIH: number of improper dihedrals
187 # of atoms forming an improper dihedral
188 # ICQH: improper dihedral type code
192 # NQHI: number of improper dihedrals NOT
196 # forming an improper dihedral
197 # ICQ: improper dihedral type code
/dports/lang/racket/racket-8.3/share/pkgs/gui-lib/framework/private/
H A Dnumber-snip.rkt33 [(mixed improper)
85 [(equal? #"improper" fraction-bytes) 'improper])]
192 ;; improper-nums : string
382 [(improper) (string-append
383 improper-prefix
384 improper-nums
397 [(improper) #f]))
422 [(improper)
440 [(improper) (draw-improper-fraction dc x y)]
572 [improper-fraction-item
[all …]
/dports/www/chromium-legacy/chromium-88.0.4324.182/native_client/src/trusted/validator_ragel/testdata/64/
H A Drestricted_registers_rpb_rsp.test11 2: improper %rbp sandboxing
24 2: improper memory address - bad index
25 2: improper %rsp sandboxing
63 2: improper %rbp sandboxing
94 2: improper %rbp sandboxing
108 2: improper %rsp sandboxing
/dports/lang/racket/racket-8.3/share/pkgs/lazy/
H A Dlist.rkt127 (drop l (- (improper-length l) n)))
130 (take l (- (improper-length l) n)))
133 (split-at l (- (improper-length l) n)))
136 (improper-reverse (takef (improper-reverse l) pred)))
139 (improper-reverse (dropf (improper-reverse l) pred)))
142 (improper-reverse (splitf-at (improper-reverse l) pred)))
238 (define (improper-length lst)
244 (define (improper-reverse lst)
/dports/science/lammps/lammps-stable_29Sep2021/src/
H A Dforce.cpp59 improper = nullptr; in Force()
149 if (improper) delete improper; in ~Force()
156 improper = nullptr; in ~Force()
185 if (improper) improper->init(); in init()
205 if (!improper && (atom->nimpropers > 0)) in init()
580 if (improper) delete improper; in create_improper()
583 improper = new_improper(style,trysuffix,sflag); in create_improper()
641 if (style == improper_style) return improper; in improper_match()
643 ImproperHybrid *hybrid = (ImproperHybrid *) improper; in improper_match()
844 if (improper) bytes += improper->memory_usage(); in memory_usage()
/dports/science/py-pymol/pymol-open-source-2.4.0/data/chempy/tinker/
H A Dmake_simple.py98 self.improper = {}
103 if a5 not in self.improper:
104 self.improper[a5] = []
105 self.improper[a5].append([l[11:]])
1121 if a[0:11] in tmp.improper:
1125 kees = list(tmp.improper.keys())
1129 print("%-1s%s" %(a,tmp.improper[a][0][0]))

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