/dports/lang/racket-minimal/racket-8.3/src/ChezScheme/s/ |
H A D | 5_2.ss | 74 (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 …]
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/dports/lang/racket/racket-8.3/share/pkgs/trace/ |
H A D | calltrace-lib.rkt | 20 (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)))]))
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/dports/mail/postfix-current/postfix-3.7-20211107/src/global/ |
H A D | mime_8bit.ref | 1 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
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/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
H A D | min_kokkos.cpp | 196 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 …]
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/dports/science/tinker/tinker/params/ |
H A D | smoothua.prm | 1001 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 …]
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H A D | charmm22cmap.prm | 755 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 …]
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H A D | charmm22.prm | 749 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 …]
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H A D | charmm19.prm | 400 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 …]
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/dports/math/R-cran-magic/magic/man/ |
H A D | latin.Rd | 5 \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
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/dports/science/lammps/lammps-stable_29Sep2021/doc/src/ |
H A D | improper_cossq.rst | 27 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
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H A D | improper_distance.rst | 24 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
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H A D | create_bonds.rst | 32 *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 …]
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H A D | improper_class2.rst | 29 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
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H A D | improper_ring.rst | 27 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
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H A D | improper_sqdistharm.rst | 24 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
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H A D | improper_distharm.rst | 24 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
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/Fist/regtest-8/ |
H A D | water.gtop | 102 # 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
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H A D | ala-wat.gtop | 176 # 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
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/dports/science/cp2k-data/cp2k-7.1.0/tests/Fist/regtest-8/ |
H A D | water.gtop | 102 # 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
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H A D | ala-wat.gtop | 176 # 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
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/dports/lang/racket/racket-8.3/share/pkgs/gui-lib/framework/private/ |
H A D | number-snip.rkt | 33 [(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 …]
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/dports/www/chromium-legacy/chromium-88.0.4324.182/native_client/src/trusted/validator_ragel/testdata/64/ |
H A D | restricted_registers_rpb_rsp.test | 11 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
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/dports/lang/racket/racket-8.3/share/pkgs/lazy/ |
H A D | list.rkt | 127 (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)
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/dports/science/lammps/lammps-stable_29Sep2021/src/ |
H A D | force.cpp | 59 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()
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/dports/science/py-pymol/pymol-open-source-2.4.0/data/chempy/tinker/ |
H A D | make_simple.py | 98 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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