Modules

ModuleSource FileDescription
m_config_io m_config_io.f90
m_constants_math m_constants_math.f90
m_control_io m_control_io.f90
m_globals m_globals.f90
m_ia_angle m_ia_angle.f90

Angle potentials

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m_ia_bond m_ia_bond.f90

Bond potentials

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m_ia_dihedral m_ia_dihedral.f90

Dihedral potentials

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m_ia_external m_ia_external.f90

External potentials

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m_ia_tether m_ia_tether.f90

Tether potentials

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m_ia_types m_ia_types.f90

Type definitions for various interactions.
m_ia_vdw m_ia_vdw.f90

Vdw potentials

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m_interaction m_interaction.f90

This module provides the potentials listed below. Parameters for each potential is given by the vector params of maximum length mxparam.
m_logger m_logger.f90

Implements a basic logger.
m_mc_moves m_mc_moves.f90
m_mc_solver m_mc_solver.f90
m_nbr_lists m_nbr_lists.f90
m_precision m_precision.f90
m_qsort m_qsort.f90

Implements quicksort for a sequence of integers and reals, in combination with insertion sort for very short sequences.
m_ran_num m_ran_num.f90

Module providing random number generation procedures. Uses Intel MKL VSL.
m_setup m_setup.f90
m_spline m_spline.f90

Implements various routines for cubic spline interpolation.
m_stats_io m_stats_io.f90
m_strings m_strings.f90

Routines for string handling

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m_table m_table.f90
m_timestamp m_timestamp.f90
m_trajectory m_trajectory.f90
m_vector m_vector.f90
module~~graph~~ModuleGraph module~m_config_io m_config_io module~m_globals m_globals module~m_config_io->module~m_globals module~m_precision m_precision module~m_config_io->module~m_precision module~m_strings m_strings module~m_config_io->module~m_strings module~m_constants_math m_constants_math module~m_constants_math->module~m_precision module~m_control_io m_control_io module~m_control_io->module~m_globals module~m_control_io->module~m_precision module~m_control_io->module~m_strings module~m_ia_types m_ia_types module~m_globals->module~m_ia_types module~m_globals->module~m_precision module~m_trajectory m_trajectory module~m_globals->module~m_trajectory module~m_ia_angle m_ia_angle module~m_ia_angle->module~m_constants_math module~m_ia_angle->module~m_ia_types module~m_ia_angle->module~m_precision module~m_spline m_spline module~m_ia_angle->module~m_spline module~m_ia_bond m_ia_bond module~m_ia_bond->module~m_constants_math module~m_ia_bond->module~m_ia_types module~m_ia_bond->module~m_precision module~m_ia_bond->module~m_spline module~m_ia_dihedral m_ia_dihedral module~m_ia_dihedral->module~m_constants_math module~m_ia_dihedral->module~m_ia_types module~m_ia_dihedral->module~m_precision module~m_ia_external m_ia_external module~m_ia_external->module~m_constants_math module~m_ia_external->module~m_ia_types module~m_ia_external->module~m_precision module~m_ia_tether m_ia_tether module~m_ia_tether->module~m_constants_math module~m_ia_tether->module~m_ia_types module~m_ia_tether->module~m_precision module~m_ia_types->module~m_precision module~m_ia_vdw m_ia_vdw module~m_ia_vdw->module~m_constants_math module~m_ia_vdw->module~m_ia_types module~m_ia_vdw->module~m_precision module~m_ia_vdw->module~m_spline module~m_interaction m_interaction module~m_interaction->module~m_constants_math module~m_interaction->module~m_globals module~m_interaction->module~m_ia_angle module~m_interaction->module~m_ia_bond module~m_interaction->module~m_ia_dihedral module~m_interaction->module~m_ia_external module~m_interaction->module~m_ia_tether module~m_interaction->module~m_ia_vdw module~m_nbr_lists m_nbr_lists module~m_interaction->module~m_nbr_lists module~m_interaction->module~m_precision module~m_qsort m_qsort module~m_interaction->module~m_qsort module~m_logger m_logger module~m_timestamp m_timestamp module~m_logger->module~m_timestamp iso_fortran_env iso_fortran_env module~m_logger->iso_fortran_env module~m_mc_moves m_mc_moves module~m_mc_moves->module~m_constants_math module~m_mc_moves->module~m_globals module~m_mc_moves->module~m_interaction module~m_mc_moves->module~m_nbr_lists module~m_mc_moves->module~m_precision module~m_ran_num m_ran_num module~m_mc_moves->module~m_ran_num module~m_mc_solver m_mc_solver module~m_mc_solver->module~m_config_io module~m_mc_solver->module~m_constants_math module~m_mc_solver->module~m_globals module~m_mc_solver->module~m_interaction module~m_mc_solver->module~m_logger module~m_mc_solver->module~m_mc_moves module~m_mc_solver->module~m_nbr_lists module~m_mc_solver->module~m_precision module~m_stats_io m_stats_io module~m_mc_solver->module~m_stats_io module~m_mc_solver->module~m_strings module~m_nbr_lists->module~m_globals module~m_nbr_lists->module~m_precision module~m_table m_table module~m_nbr_lists->module~m_table module~m_vector m_vector module~m_nbr_lists->module~m_vector module~m_precision->iso_fortran_env module~m_qsort->module~m_precision module~m_ran_num->module~m_precision mkl_vsl mkl_vsl module~m_ran_num->mkl_vsl mkl_vsl_type mkl_vsl_type module~m_ran_num->mkl_vsl_type module~m_setup m_setup module~m_setup->module~m_config_io module~m_setup->module~m_globals module~m_setup->module~m_interaction module~m_setup->module~m_logger module~m_setup->module~m_mc_solver module~m_setup->module~m_precision module~m_setup->module~m_ran_num module~m_setup->module~m_stats_io module~m_stats_io->module~m_constants_math module~m_stats_io->module~m_globals module~m_stats_io->module~m_precision module~m_stats_io->module~m_strings module~m_strings->module~m_precision module~m_table->module~m_precision module~m_table->module~m_vector module~m_trajectory->module~m_precision module~m_vector->module~m_precision module~m_vector->module~m_qsort program~main main program~main->module~m_control_io program~main->module~m_globals program~main->module~m_logger program~main->module~m_mc_solver program~main->module~m_precision program~main->module~m_setup program~main->module~m_strings
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