This commit is contained in:
Axel Kohlmeyer
2023-12-02 08:53:20 -05:00
parent cace83e30d
commit 2970d73d22
5 changed files with 18 additions and 20 deletions

View File

@ -1,8 +1,8 @@
/* /*
* This function fills in the keyword field, the number of members for each * This function fills in the keyword field, the number of members for each
* item and the number of parameters for each item * item and the number of parameters for each item
* *
*/ */
#include "msi2lmp.h" #include "msi2lmp.h"
#include "Forcefield.h" #include "Forcefield.h"

View File

@ -1,7 +1,7 @@
/* /*
* This function opens the .car file and extracts coordinate information * This function opens the .car file and extracts coordinate information
* into the atoms Atom structure * into the atoms Atom structure
*/ */
#include "msi2lmp.h" #include "msi2lmp.h"

View File

@ -1,9 +1,8 @@
/* /*
* This routine reads the data from a .frc forcefield file and stores it in * This routine reads the data from a .frc forcefield file and stores it in
* dynamically allocated memory. This allows for fast searches of the * dynamically allocated memory. This allows for fast searches of the
* file. * file.
* */
*/
#include "msi2lmp.h" #include "msi2lmp.h"
#include "Forcefield.h" #include "Forcefield.h"

View File

@ -1,10 +1,9 @@
/****************************** /******************************
* *
* This function opens the .mdf file and extracts connectivity information * This function opens the .mdf file and extracts connectivity information
* into the atoms Atom structure. It also updates the charge from the .car * into the atoms Atom structure. It also updates the charge from the .car
* file because the charge in the .mdf file has more significant figures. * file because the charge in the .mdf file has more significant figures.
* */
*/
#include "msi2lmp.h" #include "msi2lmp.h"

View File

@ -1,6 +1,6 @@
/* /*
* This function creates and writes the data file to be used with LAMMPS * This function creates and writes the data file to be used with LAMMPS
*/ */
#include "msi2lmp.h" #include "msi2lmp.h"