Here is a list of all functions with links to the files they belong to:

C

E

L

M

- c -

Cross() : Vec.h

- e -

enum_from_json() : ParametersJSON.cpp
enum_to_json() : ParametersJSON.cpp
eon_mta_abi_version() : MetatomicCAbi.cpp, metatomic_c_abi.h
eon_mta_pot_create() : MetatomicCAbi.cpp, metatomic_c_abi.h
eon_mta_pot_destroy() : MetatomicCAbi.cpp, metatomic_c_abi.h
eon_mta_pot_force() : MetatomicCAbi.cpp, metatomic_c_abi.h
eonClientMain() : ClientEON.cpp

- l -

lammps_close() : library.h
lammps_command() : library.h
lammps_commands_list() : library.h
lammps_commands_string() : library.h
lammps_config_accelerator() : library.h
lammps_config_has_exceptions() : library.h
lammps_config_has_ffmpeg_support() : library.h
lammps_config_has_gzip_support() : library.h
lammps_config_has_jpeg_support() : library.h
lammps_config_has_mpi_support() : library.h
lammps_config_has_package() : library.h
lammps_config_has_png_support() : library.h
lammps_config_package_count() : library.h
lammps_config_package_name() : library.h
lammps_create_atoms() : library.h
lammps_decode_image_flags() : library.h
lammps_encode_image_flags() : library.h
lammps_error() : library.h
lammps_extract_atom() : library.h
lammps_extract_atom_datatype() : library.h
lammps_extract_box() : library.h
lammps_extract_compute() : library.h
lammps_extract_fix() : library.h
lammps_extract_global() : library.h
lammps_extract_global_datatype() : library.h
lammps_extract_setting() : library.h
lammps_extract_variable() : library.h
lammps_extract_variable_datatype() : library.h
lammps_file() : library.h
lammps_find_compute_neighlist() : library.h
lammps_find_fix_neighlist() : library.h
lammps_find_pair_neighlist() : library.h
lammps_fix_external_get_force() : library.h
lammps_fix_external_set_energy_global() : library.h
lammps_fix_external_set_energy_peratom() : library.h
lammps_fix_external_set_vector() : library.h
lammps_fix_external_set_vector_length() : library.h
lammps_fix_external_set_virial_global() : library.h
lammps_fix_external_set_virial_peratom() : library.h
lammps_flush_buffers() : library.h
lammps_force_timeout() : library.h
lammps_free() : library.h
lammps_gather() : library.h
lammps_gather_angles() : library.h
lammps_gather_atoms() : library.h
lammps_gather_atoms_concat() : library.h
lammps_gather_atoms_subset() : library.h
lammps_gather_bonds() : library.h
lammps_gather_concat() : library.h
lammps_gather_dihedrals() : library.h
lammps_gather_impropers() : library.h
lammps_gather_subset() : library.h
lammps_get_gpu_device_info() : library.h
lammps_get_last_error_message() : library.h
lammps_get_mpi_comm() : library.h
lammps_get_natoms() : library.h
lammps_get_os_info() : library.h
lammps_get_thermo() : library.h
lammps_has_error() : library.h
lammps_has_gpu_device() : library.h
lammps_has_id() : library.h
lammps_has_style() : library.h
lammps_id_count() : library.h
lammps_id_name() : library.h
lammps_is_running() : library.h
lammps_kokkos_finalize() : library.h
lammps_last_thermo() : library.h
lammps_map_atom() : library.h
lammps_memory_usage() : library.h
lammps_mpi_finalize() : library.h
lammps_mpi_init() : library.h
lammps_neighlist_element_neighbors() : library.h
lammps_neighlist_num_elements() : library.h
lammps_open_fortran() : library.h
lammps_open_no_mpi() : library.h
lammps_plugin_count() : library.h
lammps_plugin_name() : library.h
lammps_python_api_version() : library.h
lammps_python_finalize() : library.h
lammps_reset_box() : library.h
lammps_scatter() : library.h
lammps_scatter_atoms() : library.h
lammps_scatter_atoms_subset() : library.h
lammps_scatter_subset() : library.h
lammps_set_fix_external_callback() : library.h
lammps_set_internal_variable() : library.h
lammps_set_string_variable() : library.h
lammps_set_variable() : library.h
lammps_style_count() : library.h
lammps_style_name() : library.h
lammps_variable_info() : library.h
lammps_version() : library.h
Length2() : Vec.h

- m -

main() : ClientEON.cpp, test.cpp, testpot.cpp, testWriteR.cpp
makeRgpot() : RgpotAdapter.h
makeRgpotDefault() : RgpotAdapter.h
matDot() : Eigen.h
minimize() : CommandLine.cpp

- n -

normalize_variant() : MetatomicPotential.cpp
nz() : MetatomicCAbi.cpp, MetatomicEngineAbi.cpp

- p -

printFeatures() : CommandLine.cpp
printSystemInfo() : ClientEON.cpp

- r -

rgpot_mta_abi_version() : MetatomicEngineAbi.cpp, metatomic_c_abi.h
rgpot_mta_available() : MetatomicEngineAbi.cpp, metatomic_c_abi.h
rgpot_mta_create() : MetatomicEngineAbi.cpp, metatomic_c_abi.h
rgpot_mta_destroy() : MetatomicEngineAbi.cpp, metatomic_c_abi.h
rgpot_mta_force() : MetatomicEngineAbi.cpp, metatomic_c_abi.h
rgpot_xtb_abi_version() : xtb_c_abi.h
rgpot_xtb_available() : xtb_c_abi.h
rgpot_xtb_create() : xtb_c_abi.h
rgpot_xtb_destroy() : xtb_c_abi.h
rgpot_xtb_force() : xtb_c_abi.h

- s -

set_err() : MetatomicCAbi.cpp, MetatomicEngineAbi.cpp
singlePoint() : CommandLine.cpp

- v -

Vaxpy() : Vec.h
vec_add_scal() : vectools.h
vec_dbl_mul_indir_add() : vectools.h
vec_dEds() : vectools.h
vec_df() : vectools.h
vec_diffweight() : vectools.h
vec_eq_self_mul_addscal_mul() : vectools.h
vec_mul() : vectools.h
vec_mul_indir() : vectools.h
vec_mul_indir_add_indir() : vectools.h
vec_mul_indir_add_indir_mul() : vectools.h
vec_mul_scal() : vectools.h
vec_mul_scal_add_mul() : vectools.h
vec_mul_scal_add_scal() : vectools.h
vec_self_mul_mul_indir() : vectools.h
vexp() : mass.h
vlog() : mass.h
vrec() : mass.h
vsqrt() : mass.h

- x -

xtb_checkEnvironment() : xtb.h
xtb_copyResults() : xtb.h
xtb_cpcmx_calc() : xtb.h
xtb_delCalculator() : xtb.h
xtb_delEnvironment() : xtb.h
xtb_delMolecule() : xtb.h
xtb_delResults() : xtb.h
xtb_getAPIVersion() : xtb.h
xtb_getBondOrders() : xtb.h
xtb_getCharges() : xtb.h
xtb_getDipole() : xtb.h
xtb_getEnergy() : xtb.h
xtb_getError() : xtb.h
xtb_getGradient() : xtb.h
xtb_getNao() : xtb.h
xtb_getOrbitalCoefficients() : xtb.h
xtb_getOrbitalEigenvalues() : xtb.h
xtb_getOrbitalOccupations() : xtb.h
xtb_getPCGradient() : xtb.h
xtb_getSolvationEnergy() : xtb.h
xtb_getVirial() : xtb.h
xtb_hessian() : xtb.h
xtb_loadGFN0xTB() : xtb.h
xtb_loadGFN1xTB() : xtb.h
xtb_loadGFN2xTB() : xtb.h
xtb_loadGFNFF() : xtb.h
xtb_newCalculator() : xtb.h
xtb_newEnvironment() : xtb.h
xtb_newMolecule() : xtb.h
xtb_newResults() : xtb.h
xtb_releaseExternalCharges() : xtb.h
xtb_releaseOutput() : xtb.h
xtb_releaseSolvent() : xtb.h
xtb_setAccuracy() : xtb.h
xtb_setElectronicTemp() : xtb.h
xtb_setExternalCharges() : xtb.h
xtb_setMaxIter() : xtb.h
xtb_setOutput() : xtb.h
xtb_setSolvent() : xtb.h
xtb_setVerbosity() : xtb.h
xtb_showEnvironment() : xtb.h
xtb_singlepoint() : xtb.h
xtb_updateMolecule() : xtb.h