The MD_suite fortran library

MD_suite is a library written in fortran to perform molecular dynamics with constraints, the main subroutines in MD_suite are:

• The md_npt_constrains function
  • md_npt_constrains
  • The input parameters for md_npt_constrains
  • The output parameters for md_npt_constrains
• The md_nvt_constrains function
  • md_nvt_constrains
  • The input parameters for md_nvt_constrains
  • The output parameters for md_nvt_constrains
• The init_vel_atoms function
  • init_vel_atoms
  • The input parameters for init_vel_atoms
  • The output parameters for init_vel_atoms
• The init_vel_lattice function
  • init_vel_lattice
  • The input parameters for init_vel_lattice
  • The output parameters for init_vel_lattice
• Creating and linking the MD_suite fortran library
  • Creating the library from MD_suite
  • Link the library to an external program