/dports/math/gap/gap-4.11.0/lib/ |
H A D | grpramat.gd | 253 ## test whether <A>G</A> coincides with its Bravais group 270 ## returns the Bravais group of a finite integer matrix group <A>G</A>. 273 ## then the Bravais group of <A>G</A> is the maximal subgroup of 275 ## Alternatively, the Bravais group of <A>G</A> 281 ## Bravais group. 290 #A BravaisSubgroups( <G> ) . . . . . . . .Bravais subgroups of Bravais group 297 ## returns the subgroups of the Bravais group of <A>G</A>, which are 298 ## themselves Bravais groups. 307 #A BravaisSupergroups( <G> ) . . . . . .Bravais supergroups of Bravais group 315 ## of <A>G</A> and are Bravais groups themselves. [all …]
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/dports/math/gap/gap-4.11.0/pkg/CaratInterface/doc/ |
H A D | carat.tex | 77 The second {\CARAT} file type is the Bravais File, containing information 78 on a finite unimodular group. In { \GAP}, the contents of a Bravais File 79 is represented by a Bravais record, having the following components: 94 The following routines serve as interface to {\CARAT} Bravais Files. 98 takes a file name and a Bravais record, and writes the data in the 99 Bravais record to the file. 103 reads a Bravais File, and returns the resulting Bravais record. 112 Bravais record starts, and `groups' is the list of Bravais records read from 190 \Section{CARAT Bravais Catalog} 193 Bravais groups of dimension up to 6. These Bravais groups are [all …]
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H A D | introduction.tex | 16 and routines for the computation of Bravais groups, which are all 18 Bravais groups up to dimension 6. {\Cryst} automatically loads {\CARAT}
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H A D | manual.toc | 8 \seccontents {3.5}{CARAT Bravais Catalog} {7}
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H A D | manual.six | 27 S 3.5. CARAT Bravais Catalog
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H A D | manual.lab | 26 \makelabel{caratinterface:CARAT Bravais Catalog}{3.5}
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/dports/math/gap/gap-4.11.0/pkg/CaratInterface/gap/ |
H A D | carat.gd | 36 #F CaratReadBravaisFile( filename ) . . . . . . . . read Carat Bravais file 42 #F CaratReadMultiBravaisFile( filename ) . . . read Carat Multi-Bravais file 54 #F CaratWriteBravaisFile( filename, data ) write Carat Bravais rec. to file 72 #F BravaisGroupsCrystalFamily( symb ) . . . Bravais groups in crystal family
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H A D | methods.gi | 12 #M BravaisGroup( grp ) . . . . . . . . . . . . . . . . Bravais group of grp 61 #F CaratBravaisInclusions( grp, opt ) . . . . .Bravais inclusions (internal) 103 #M BravaisSubgroups( grp ) . . . . Bravais subgroups of Bravais group of grp 118 #M BravaisSupergroups( grp ) . . Bravais supergroups of Bravais group of grp 194 InstallMethod( NormalizerInGLnZ, "via Bravais group", 202 #M NormalizerInGLnZBravaisGroup( G ) norm. of Bravais group of G in GL(n,Z) 443 #M BravaisGroupsCrystalFamily( symb ) . . . Bravais groups in crystal family
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H A D | carat.gi | 273 #F CaratReadBravaisRecord( input, str ) . . . . . read Carat Bravais record 284 # normal Bravais file format 341 #F CaratReadBravaisFile( filename ) . . . . . . . . read Carat Bravais file 359 #F CaratReadMultiBravaisFile( filename ) . . . read Carat Multi-Bravais file 369 # read comments until first Bravais record starts 375 # read the Bravais records 474 #F CaratWriteBravaisFile( filename, data ) write Carat Bravais rec. to file
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/dports/math/gap/gap-4.11.0/pkg/crystcat/tst/ |
H A D | manual.tst | 11 #I 2 crystal systems; 6 Bravais flocks 16 #I 1 crystal system; 1 Bravais flock 20 #I R-irreducible; 2 crystal systems; 2 Bravais flocks 107 #I Z-class (2,2,1,1) = Z(pm): Bravais type II/I; fully Z-reducible; 111 #I Z-class (3,7,4,2) = Z(F-43m): Bravais type VI/II; Z-irreducible; 115 #I Z-class B (4,2,3,2): Bravais type II/II; Z-decomposable; 119 #I *Z-class (4,21,3,1): Bravais type XVI/I; Z-reducible;
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/dports/science/py-ase/ase-3.22.0/ase/lattice/ |
H A D | cubic.py | 10 from ase.lattice.bravais import Bravais, reduceindex 15 class SimpleCubicFactory(Bravais): 69 Bravais.find_directions(self, directions, miller)
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H A D | triclinic.py | 7 from ase.lattice.bravais import Bravais 12 class TriclinicFactory(Bravais):
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H A D | orthorhombic.py | 10 from ase.lattice.bravais import Bravais 15 class SimpleOrthorhombicFactory(Bravais):
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/dports/math/gap/gap-4.11.0/pkg/CaratInterface/ |
H A D | README | 13 and routines for the computation of Bravais groups, which are all 15 Bravais groups up to dimension 6. Cryst automatically loads
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H A D | PackageInfo.g | 58 of Bravais groups, which are all missing in <span class=\"pkgname\">Cryst\ 59 </span>. A catalog of Bravais groups up to dimension 6 is also provided.",
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/dports/science/quantum-espresso/q-e-qe-6.7.0/PW/examples/example02/ |
H A D | README | 12 Note that ibrav=0 therefore the Bravais lattice fundamental vectors 15 specified in celldm(1), but deduced from Bravais lattice vectors.
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/dports/science/xcrysden/xcrysden-1.6.2/Tcl/ |
H A D | kLabels.tcl | 162 1. For a few "supported" Bravais lattices several k-points will be 167 to determine the Bravais lattice type. The labelling of the k-points 168 will be hopefully correct only if correct Bravais lattice type was
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/dports/science/drawxtl/DRAWxtl/source/DRAWxtl55/ |
H A D | read_flp.h | 62 char Bravais[51]; member
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/dports/science/py-abipy/abipy-0.9.0/abipy/data/refs/alas_phonons/ |
H A D | run.abi | 8 brav 2 ! Bravais Lattice : 1-S.C., 2-F.C., 3-B.C., 4-Hex.)
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/dports/science/berkeleygw/BGW-2.0.0/examples/DFT/silicon/ESPRESSO/00-kgrid/reference/ |
H A D | WFN_fi.log_ref | 17 symmetries of the Bravais lattice
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H A D | WFNq_fi.log_ref | 17 symmetries of the Bravais lattice
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H A D | WFN.log_ref | 17 symmetries of the Bravais lattice
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/dports/math/gap/gap-4.11.0/pkg/crystcat/doc/ |
H A D | crystcat.tex | 230 we use the intersections of $\Q$-classes and Bravais flocks as 239 crystal classes intersect the same set of Bravais flocks of 301 \item{$\bullet$} the number of Bravais flocks in the family. 310 #I 2 crystal systems; 6 Bravais flocks 314 #I 1 crystal system; 1 Bravais flock 317 #I R-irreducible; 2 crystal systems; 2 Bravais flocks 599 \item{$\bullet$} the Bravais type, 608 #I Z-class (2,2,1,1) = Z(pm): Bravais type II/I; fully Z-reducible; 611 #I Z-class (3,7,4,2) = Z(F-43m): Bravais type VI/II; Z-irreducible; 614 #I Z-class B (4,2,3,2): Bravais type II/II; Z-decomposable; [all …]
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/dports/science/berkeleygw/BGW-2.0.0/testsuite/Benzene-SAPO/ |
H A D | Benzene.test | 21 match ; Space group (lattice) ; GREP(kgrid.log, "symmetries of the Bravais lattice", 3, 2); …
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/dports/math/gap/gap-4.11.0/pkg/crystcat/grp/ |
H A D | crystcat.grp | 102 ## which are Bravais Z-classes. 165 ## free parameters, b is the number of Bravais systems in the family, 172 ## cohomology group, b is the Bravais type of the given Z-class, and 310 " free parameter"," crystal system"," Bravais flock",";\n#I "]; 362 ": Bravais type "," space group"," space groups",
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