Go to the source code of this file.
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module | md_vel_utils |
| Collection of utilities for setting-up and handle velocities in MD runs.
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subroutine, public | md_vel_utils::temperature_control (simpar, md_env, md_ener, force_env, logger) |
| Perform all temperature manipulations during a QS MD run. More...
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subroutine, public | md_vel_utils::comvel_control (md_ener, force_env, md_section, logger) |
| Set to 0 the velocity of the COM along MD runs, if required. More...
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subroutine, public | md_vel_utils::angvel_control (md_ener, force_env, md_section, logger) |
| Set to 0 the angular velocity along MD runs, if required. More...
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subroutine, public | md_vel_utils::setup_velocities (force_env, simpar, globenv, md_env, md_section, constraint_section, write_binary_restart_file) |
| Initialize Velocities for MD runs. More...
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