| /dports/science/lammps/lammps-stable_29Sep2021/src/ |
| H A D | compute_improper.h | 36 class ImproperHybrid *improper; variable
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| H A D | force.h | 83 Improper *improper; variable
|
| /dports/science/lammps/lammps-stable_29Sep2021/doc/src/ |
| H A D | Commands_bond.rst | 131 .. _improper: target in Dihedral_style potentials
|
| /dports/lang/elixir-devel/elixir-1.13.1/lib/elixir/test/elixir/module/types/ |
| H A D | expr_test.exs | 31 test "improper" do test
|
| /dports/lang/elixir/elixir-1.12.3/lib/elixir/test/elixir/module/types/ |
| H A D | expr_test.exs | 31 test "improper" do test
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/java/ |
| H A D | Segment.java | 10 public ImproperDefinition[] improper; field in Segment
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/java/ |
| H A D | Segment.java | 10 public ImproperDefinition[] improper; field in Segment
|
| /dports/science/dynare/dynare-4.6.4/matlab/ |
| H A D | model_comparison.m | 48 improper = abs(sum(ModelPriors)-1)>1e-6; variable
|
| /dports/science/lammps/lammps-stable_29Sep2021/unittest/force-styles/ |
| H A D | test_improper_style.cpp | 347 auto improper = lmp->force->improper; in TEST() local
577 auto improper = lmp->force->improper; in TEST() local
|
| H A D | check_tests.py | 53 improper = {} variable
|
| /dports/science/gromacs/gromacs-2021.4/src/gromacs/gmxpreprocess/ |
| H A D | gen_ad.cpp | 234 gmx::ArrayRef<const InteractionOfType> improper, in clean_dih()
342 std::vector<InteractionOfType> improper; in get_impropers() local
598 std::vector<InteractionOfType> improper; in gen_pad() local
|
| /dports/biology/protomol/protomol/framework/frontend/ |
| H A D | buildTopology.cpp | 414 for (vector<PAR::Improper>::const_iterator improper = par.impropers.begin(); in buildTopology() local
423 for(vector<PSF::Improper>::const_iterator improper = psf.impropers.begin(); in buildTopology() local
|
| /dports/science/lammps/lammps-stable_29Sep2021/doc/utils/ |
| H A D | check-styles.py | 54 improper = {} variable
|
| /dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
| H A D | force.h | 116 class Improper *improper; variable
|
| /dports/lang/elixir/elixir-1.12.3/lib/elixir/test/elixir/ |
| H A D | inspect_test.exs | 322 test "improper" do test
|
| /dports/biology/protomol/protomol/applications/iSGProtomol-app/frontend/ |
| H A D | buildISGTopology.cpp | 423 for (vector<iSGPAR::Improper>::const_iterator improper = par.impropers.begin(); in buildISGTopology() local
431 for(vector<PSF::Improper>::const_iterator improper = psf.impropers.begin(); in buildISGTopology() local
|
| /dports/lang/elixir-devel/elixir-1.13.1/lib/elixir/test/elixir/ |
| H A D | inspect_test.exs | 326 test "improper" do test
|
| /dports/mail/renattach/renattach-1.2.4/src/ |
| H A D | renattach.c | 1035 int improper; /* flag set if improper coding found */ in decode_2047() local
|
| /dports/science/py-MDAnalysis/MDAnalysis-0.19.2/MDAnalysis/core/ |
| H A D | topologyobjects.py | 320 def improper(self): member in ImproperDihedral
|
| H A D | groups.py | 2521 def improper(self): member in AtomGroup
|
| /dports/www/newsboat/newsboat-2.22.1/cargo-crates/cxxbridge-macro-0.5.10/src/syntax/ |
| H A D | mod.rs | 13 mod improper; module
|
| /dports/www/newsboat/newsboat-2.22.1/cargo-crates/cxx-build-0.5.10/src/syntax/ |
| H A D | mod.rs | 13 mod improper; module
|
| /dports/science/bagel/bagel-1.2.2/src/molecule/ |
| H A D | molecule.cc | 455 bool improper; in compute_internal_coordinate() local
|
| /dports/science/lammps/lammps-stable_29Sep2021/src/OPENMP/ |
| H A D | thr_omp.cpp | 408 Improper *improper = lmp->force->improper; in reduce_thr() local
|
| /dports/math/R-cran-magic/magic/R/ |
| H A D | magic.R | 1471 "is.incidence" <- function(a, include.improper){
|