Derived Types

TypeLocationExtendsDescription
dexp_ncoord_type mctc_ncoord_dexp ncoord_type

Coordination number evaluator
erf_dftd4_ncoord_type mctc_ncoord_erf_dftd4 erf_ncoord_type

Coordination number evaluator
erf_en_ncoord_type mctc_ncoord_erf_en erf_ncoord_type

Coordination number evaluator
erf_ncoord_type mctc_ncoord_erf ncoord_type

Coordination number evaluator
error_type mctc_env_error None

Error message
exp_ncoord_type mctc_ncoord_exp ncoord_type

Coordination number evaluator
ncoord_type mctc_ncoord_type None

Abstract base class for coordination number evaluator
pdb_data mctc_io_structure_info None

Atomic pdb data type.

Read more…
sdf_data mctc_io_structure_info None

SDF atomic data.

Read more…
structure_info mctc_io_structure_info None

structure input info

Read more…
structure_type mctc_io_structure None

Structure representation
testsuite_type mctc_env_testing None

Collection of unit tests
timer_type mctc_env_timer None
token_type mctc_io_utils None

Text token
unittest_type mctc_env_testing None

Declaration of a unit test