/dports/devel/binutils/binutils-2.37/gas/testsuite/gas/riscv/ |
H A D | shamt-32.l | 2 .*:4: Error: improper shift amount \(32\) 3 .*:5: Error: improper shift amount \(63\) 4 .*:9: Error: improper shift amount \(32\) 5 .*:10: Error: improper shift amount \(63\) 6 .*:14: Error: improper shift amount \(32\) 7 .*:15: Error: improper shift amount \(63\) 8 .*:20: Error: improper shift amount \(32\) 9 .*:21: Error: improper shift amount \(63\) 10 .*:25: Error: improper shift amount \(32\) 11 .*:26: Error: improper shift amount \(63\) [all …]
|
H A D | shamt-64.l | 2 .*:19: Error: improper shift amount \(32\) 3 .*:20: Error: improper shift amount \(63\) 4 .*:24: Error: improper shift amount \(32\) 5 .*:25: Error: improper shift amount \(63\) 6 .*:29: Error: improper shift amount \(32\) 7 .*:30: Error: improper shift amount \(63\)
|
/dports/devel/arm-elf-binutils/binutils-2.37/gas/testsuite/gas/riscv/ |
H A D | shamt-32.l | 2 .*:4: Error: improper shift amount \(32\) 3 .*:5: Error: improper shift amount \(63\) 4 .*:9: Error: improper shift amount \(32\) 5 .*:10: Error: improper shift amount \(63\) 6 .*:14: Error: improper shift amount \(32\) 7 .*:15: Error: improper shift amount \(63\) 8 .*:20: Error: improper shift amount \(32\) 9 .*:21: Error: improper shift amount \(63\) 10 .*:25: Error: improper shift amount \(32\) 11 .*:26: Error: improper shift amount \(63\) [all …]
|
H A D | shamt-64.l | 2 .*:19: Error: improper shift amount \(32\) 3 .*:20: Error: improper shift amount \(63\) 4 .*:24: Error: improper shift amount \(32\) 5 .*:25: Error: improper shift amount \(63\) 6 .*:29: Error: improper shift amount \(32\) 7 .*:30: Error: improper shift amount \(63\)
|
/dports/devel/gnulibiberty/binutils-2.37/gas/testsuite/gas/riscv/ |
H A D | shamt-32.l | 2 .*:4: Error: improper shift amount \(32\) 3 .*:5: Error: improper shift amount \(63\) 4 .*:9: Error: improper shift amount \(32\) 5 .*:10: Error: improper shift amount \(63\) 6 .*:14: Error: improper shift amount \(32\) 7 .*:15: Error: improper shift amount \(63\) 8 .*:20: Error: improper shift amount \(32\) 9 .*:21: Error: improper shift amount \(63\) 10 .*:25: Error: improper shift amount \(32\) 11 .*:26: Error: improper shift amount \(63\) [all …]
|
H A D | shamt-64.l | 2 .*:19: Error: improper shift amount \(32\) 3 .*:20: Error: improper shift amount \(63\) 4 .*:24: Error: improper shift amount \(32\) 5 .*:25: Error: improper shift amount \(63\) 6 .*:29: Error: improper shift amount \(32\) 7 .*:30: Error: improper shift amount \(63\)
|
/dports/science/lammps/lammps-stable_29Sep2021/doc/src/ |
H A D | improper_style.rst | 27 Set the formula(s) LAMMPS uses to compute improper interactions 29 of the simulation. The list of improper quadruplets is read in by a 32 an improper quadruplet determines the definition of the improper 37 potentials can be setup using the *hybrid* improper style. 54 When both an improper and pair style is defined, the 73 The individual style names on the :ref:`Commands improper <improper>` page are followed by one or 76 * :doc:`none <improper_none>` - turn off improper interactions 80 * :doc:`class2 <improper_class2>` - COMPASS (class 2) improper 82 * :doc:`cvff <improper_cvff>` - CVFF improper 86 * :doc:`harmonic <improper_harmonic>` - harmonic improper [all …]
|
H A D | improper_hybrid.rst | 13 * style1,style2 = list of one or more improper styles 27 The *hybrid* style enables the use of multiple improper styles in one 28 simulation. An improper style is assigned to each improper type. For 29 example, impropers in a polymer flow (of improper type 1) could be 31 boundary (of improper type 2) could be computed with a *cvff* 32 potential. The assignment of improper type to style is made via the 38 impropers of improper type 1 to be computed with a *harmonic* 59 after the improper type. For 62 improper style of *skip* as a placeholder, e.g. 85 This improper style can only be used if LAMMPS was built with the [all …]
|
H A D | improper_coeff.rst | 13 * N = improper type (see asterisk form below) 14 * args = coefficients for one or more improper types 28 Specify the improper force field coefficients for one or more improper 30 improper style. Improper coefficients can also be set in the data 36 used to set the coefficients for multiple improper types. This takes 44 setting for the same improper type. For example, these commands set 46 improper type 2: 53 A line in a data file that specifies improper coefficients uses the 71 The list of all improper styles defined in LAMMPS is given on the 73 in more compact form on the :ref:`Commands improper <improper>` doc page. [all …]
|
H A D | improper_zero.rst | 25 Using an improper style of zero means improper forces and energies are 26 not computed, but the geometry of improper quadruplets is still 29 As an example, the :doc:`compute improper/local <compute_improper_local>` command can be used to 30 compute the chi values for the list of quadruplets of improper atoms 32 command. If no improper style is defined, this command cannot be 36 section for any improper style. Similarly, any improper_coeff commands 37 will only be checked for the improper type number and the rest ignored. 40 used for all improper types, though no additional values are
|
H A D | compute_improper_local.rst | 1 .. index:: compute improper/local 3 compute improper/local command 11 compute ID group-ID improper/local value1 value2 ... 14 * improper/local = style name of this compute command 20 *chi* = tabulate improper angles 27 compute 1 all improper/local chi 32 Define a computation that calculates properties of individual improper 38 the individual improper styles listed on 42 the atoms owned on a processor and their impropers. An improper will 43 only be included if all 4 atoms in the improper are in the specified [all …]
|
H A D | improper_cvff.rst | 28 The *cvff* improper style uses the potential 34 where phi is the improper dihedral angle. 36 If the 4 atoms in an improper quadruplet (listed in the data file read 38 the improper dihedral angle is between the plane of I,J,K and the 40 angle, the formula for this improper style is the same as for 46 improper to be defined between the 4 atoms. 48 The following coefficients must be defined for each improper type via 67 This improper style can only be used if LAMMPS was built with the
|
H A D | compute_improper.rst | 1 .. index:: compute improper 3 compute improper command 11 compute ID group-ID improper 14 * improper = style name of this compute command 21 compute 1 all improper 26 Define a computation that extracts the improper energy calculated by 27 each of the improper sub-styles used in the :doc:`improper_style hybrid <improper_hybrid>` command.…
|
H A D | improper_none.rst | 23 Using an improper style of none means improper forces and energies are 24 not computed, even if quadruplets of improper atoms were listed in the 28 calculate improper statistics, but compute no improper interactions.
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/java/ |
H A D | Segment.java | 10 public ImproperDefinition[] improper; field in Segment 150 if(improper[i].atomk>improper[j].atomk || in order() 151 (improper[i].atomk==improper[j].atomk && improper[i].atoml>improper[j].atoml) || in order() 152 …(improper[i].atomk==improper[j].atomk && improper[i].atoml==improper[j].atoml && improper[i].atomi… in order() 153 (improper[i].atomk==improper[j].atomk && improper[i].atoml==improper[j].atoml && in order() 154 improper[i].atomi==improper[j].atomi && improper[i].atomj>improper[j].atomj)){ in order() 155 otemp=improper[i]; improper[i]=improper[j]; improper[j]=otemp; in order() 263 file.printf("%5d",improper[i].atomi); in write() 264 file.printf("%5d",improper[i].atomj); in write() 265 file.printf("%5d",improper[i].atomk); in write() [all …]
|
H A D | nwchem_Segment.java | 862 … if(idt[ToSgm.improper[j].atomi]==ida[number][0] && idt[ToSgm.improper[j].atomj]==ida[number][1] in actionPerformed() 863 …&& idt[ToSgm.improper[j].atomk]==ida[number][2] && idt[ToSgm.improper[j].atoml]==ida[number][3]) j… in actionPerformed() 864 … if(idt[ToSgm.improper[j].atomi]==ida[number][1] && idt[ToSgm.improper[j].atomj]==ida[number][0] in actionPerformed() 865 …&& idt[ToSgm.improper[j].atomk]==ida[number][2] && idt[ToSgm.improper[j].atoml]==ida[number][3]) j… in actionPerformed() 866 … if(idt[ToSgm.improper[j].atomi]==ida[number][0] && idt[ToSgm.improper[j].atomj]==ida[number][3] in actionPerformed() 867 …&& idt[ToSgm.improper[j].atomk]==ida[number][2] && idt[ToSgm.improper[j].atoml]==ida[number][1]) j… in actionPerformed() 868 … if(idt[ToSgm.improper[j].atomi]==ida[number][3] && idt[ToSgm.improper[j].atomj]==ida[number][0] in actionPerformed() 869 …&& idt[ToSgm.improper[j].atomk]==ida[number][2] && idt[ToSgm.improper[j].atoml]==ida[number][1]) j… in actionPerformed() 870 … if(idt[ToSgm.improper[j].atomi]==ida[number][1] && idt[ToSgm.improper[j].atomj]==ida[number][3] in actionPerformed() 872 … if(idt[ToSgm.improper[j].atomi]==ida[number][3] && idt[ToSgm.improper[j].atomj]==ida[number][1] in actionPerformed() [all …]
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/java/ |
H A D | Segment.java | 10 public ImproperDefinition[] improper; field in Segment 150 if(improper[i].atomk>improper[j].atomk || in order() 151 (improper[i].atomk==improper[j].atomk && improper[i].atoml>improper[j].atoml) || in order() 152 …(improper[i].atomk==improper[j].atomk && improper[i].atoml==improper[j].atoml && improper[i].atomi… in order() 153 (improper[i].atomk==improper[j].atomk && improper[i].atoml==improper[j].atoml && in order() 154 improper[i].atomi==improper[j].atomi && improper[i].atomj>improper[j].atomj)){ in order() 155 otemp=improper[i]; improper[i]=improper[j]; improper[j]=otemp; in order() 263 file.printf("%5d",improper[i].atomi); in write() 264 file.printf("%5d",improper[i].atomj); in write() 265 file.printf("%5d",improper[i].atomk); in write() [all …]
|
H A D | nwchem_Segment.java | 862 … if(idt[ToSgm.improper[j].atomi]==ida[number][0] && idt[ToSgm.improper[j].atomj]==ida[number][1] in actionPerformed() 863 …&& idt[ToSgm.improper[j].atomk]==ida[number][2] && idt[ToSgm.improper[j].atoml]==ida[number][3]) j… in actionPerformed() 864 … if(idt[ToSgm.improper[j].atomi]==ida[number][1] && idt[ToSgm.improper[j].atomj]==ida[number][0] in actionPerformed() 865 …&& idt[ToSgm.improper[j].atomk]==ida[number][2] && idt[ToSgm.improper[j].atoml]==ida[number][3]) j… in actionPerformed() 866 … if(idt[ToSgm.improper[j].atomi]==ida[number][0] && idt[ToSgm.improper[j].atomj]==ida[number][3] in actionPerformed() 867 …&& idt[ToSgm.improper[j].atomk]==ida[number][2] && idt[ToSgm.improper[j].atoml]==ida[number][1]) j… in actionPerformed() 868 … if(idt[ToSgm.improper[j].atomi]==ida[number][3] && idt[ToSgm.improper[j].atomj]==ida[number][0] in actionPerformed() 869 …&& idt[ToSgm.improper[j].atomk]==ida[number][2] && idt[ToSgm.improper[j].atoml]==ida[number][1]) j… in actionPerformed() 870 … if(idt[ToSgm.improper[j].atomi]==ida[number][1] && idt[ToSgm.improper[j].atomj]==ida[number][3] in actionPerformed() 872 … if(idt[ToSgm.improper[j].atomi]==ida[number][3] && idt[ToSgm.improper[j].atomj]==ida[number][1] in actionPerformed() [all …]
|
/dports/science/lammps/lammps-stable_29Sep2021/unittest/force-styles/ |
H A D | test_improper_style.cpp | 161 if (!lmp->force->improper) { in restart_lammps() 347 auto improper = lmp->force->improper; in TEST() local 368 stress = improper->virial; in TEST() 380 stress = improper->virial; in TEST() 415 improper = lmp->force->improper; in TEST() 478 improper = lmp->force->improper; in TEST() 508 improper = lmp->force->improper; in TEST() 577 auto improper = lmp->force->improper; in TEST() local 599 stress = improper->virial; in TEST() 611 stress = improper->virial; in TEST() [all …]
|
/dports/science/lammps/lammps-stable_29Sep2021/src/ |
H A D | compute_improper.cpp | 40 improper = (ImproperHybrid *) force->improper_match("hybrid"); in ComputeImproper() 41 if (!improper) in ComputeImproper() 44 size_vector = nsub = improper->nstyles; in ComputeImproper() 64 improper = (ImproperHybrid *) force->improper_match("hybrid"); in init() 65 if (!improper) in init() 68 if (improper->nstyles != nsub) in init() 81 emine[i] = improper->styles[i]->energy; in compute_vector()
|
/dports/science/py-pymol/pymol-open-source-2.4.0/modules/chempy/tinker/ |
H A D | amber.py | 172 self.improper = {} 365 self.improper = {} 366 impr = self.improper 522 self.improper = {} 524 improper = top.improper 784 improper = {} 798 self.improper[kee][1],self.improper[kee][2])) 800 improper = {} 904 improper = {} 911 improper[kee] = a [all …]
|
/dports/devel/plan9port/plan9port-1f098efb7370a0b28306d10681e21883fb1c1507/lp/process/ |
H A D | generic | 22 case *; echo $FILETYPE(2) -T$FILETYPE(5) output is improper for $LPDEST >[1=2] 30 case *; echo $FILETYPE file is improper for $LPDEST >[1=2] 57 case *; echo $FILETYPE(2) file is improper for $LPDEST >[1=2] 64 case *; echo $FILETYPE(2) file is improper for $LPDEST >[1=2] 69 case *; echo $FILETYPE(2) file is improper for $LPDEST >[1=2] 74 case *; echo $FILETYPE(2) file is improper for $LPDEST >[1=2] 78 case *; echo $FILETYPE(2) file is improper for $LPDEST >[1=2] 102 echo $FILETYPE(2) file is improper for $LPDEST >[1=2]
|
/dports/science/lammps/lammps-stable_29Sep2021/src/KOKKOS/ |
H A D | verlet_kokkos.cpp | 145 if (force->improper) { in setup() 146 atomKK->sync(force->improper->execution_space,force->improper->datamask_read); in setup() 147 force->improper->compute(eflag,vflag); in setup() 148 atomKK->modified(force->improper->execution_space,force->improper->datamask_modify); in setup() 234 if (force->improper) { in setup_minimal() 235 atomKK->sync(force->improper->execution_space,force->improper->datamask_read); in setup_minimal() 236 force->improper->compute(eflag,vflag); in setup_minimal() 237 atomKK->modified(force->improper->execution_space,force->improper->datamask_modify); in setup_minimal() 423 if (atomKK->molecular && force->improper) { in run() 480 if (force->improper) { in run() [all …]
|
/dports/lang/chez-scheme/ChezScheme-9.5.4/s/ |
H A D | 5_2.ss | 74 (define improper-list-error 86 (define index-range/improper-list-error 335 (define improper-alist 398 (define improper-list 400 ($oops who "improper list ~s" ls))) 498 (define improper-list 537 (improper-list 'remq ls)))) 544 (improper-list 'remv ls)))) 556 (improper-list 'remove ls)))) 586 (improper-list 'remp ls)))) [all …]
|
/dports/lang/racket/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 …]
|