Skip to content

Commit 782e393

Browse files
committed
Amended input creation files NO_JIRA
1 parent 1fd1984 commit 782e393

File tree

2 files changed

+3
-3
lines changed

2 files changed

+3
-3
lines changed

scripts/create_castep_input/ReadMe.md

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -4,7 +4,7 @@
44

55
## Summary
66

7-
Allows the user to generate a CASTEP input set of files (.cell and .params) for a structure viewed in Mercury.
7+
Allows the user to generate a set of CASTEP input files (.cell and .params) for a structure viewed in Mercury.
88

99
![img.png](assets/file_output.png)
1010

scripts/create_gaussian_input/create_gaussian_input.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -12,8 +12,8 @@
1212

1313
"""
1414
This script will generate a generic Gaussian input file
15-
Input: CSD Identifier as a string
16-
Output: HTML File to working Directory
15+
Input: CSD Identifier as a string or .mol2
16+
Output: GJF input file
1717
Author: Andy Maloney 2015
1818
"""
1919

0 commit comments

Comments
 (0)