MM_System_IO contains procedures for reading and writing binary system files.
Full details about the use of this module can be found in chapter 5 of the book A Practical Introduction to the Simulation of Molecular Systems.
Module | Variables |
---|---|
DEFINITIONS | DP, FORCE_FIELD, MAX_RECORD_LENGTH, VERSION |
FILES | NEXT_UNIT |
IO_UNITS | OUTPUT |
STATUS | ERROR |
ATOMS | Most public items in the module. |
MM_TERMS | Most public items in the module. |
SEQUENCE | Most public items in the module. |
SYMMETRY | Most public items in the module. |
None.
There are two public subroutines in this module.
Subroutine | Purpose |
---|---|
MM_SYSTEM_READ | Read a binary system file. |
MM_SYSTEM_WRITE | Write a binary system file. |
Argument | Type | Intent | Optional | Purpose |
---|---|---|---|---|
FILE | Character ( Len = * ) | In | No | The system file name. |
Logical | In | Yes | A print flag. |
Error | Meaning |
---|---|
I/O Error. | There is a problem with the system file. |
Invalid system file header. | The force field and/or version number of the system file do not agree with those of the library. |
Argument | Type | Intent | Optional | Purpose |
---|---|---|---|---|
FILE | Character ( Len = * ) | In | No | The system file name. |
Error | Meaning |
---|---|
I/O Error. | There is a problem with the system file. |
Stable.