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c46dd3675a
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add Cr parameters to python database file
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2022-02-14 18:06:48 -05:00 |
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b0c0251154
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delete unwanted files
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2022-02-14 18:06:24 -05:00 |
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c65dbd338b
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change create_eam.py so it can be called as a function from another script
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2022-02-14 17:44:33 -05:00 |
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8431d72d75
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Added a test directory to tools/eam_database
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2022-02-14 21:29:51 +01:00 |
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4343e8194c
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update README file
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2022-02-12 10:20:49 -05:00 |
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096ea21dd9
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correct potential file output header (must have 3 comment lines)
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2022-02-12 10:14:09 -05:00 |
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8808b11d26
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must write out 3 lines of comment in fortran code. sync output style with python
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2022-02-12 10:04:24 -05:00 |
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2fdadcfeb6
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include UNITS: metadata tag
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2022-02-12 10:01:20 -05:00 |
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0113346e54
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apply some pylint recommendations
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2022-02-12 10:01:01 -05:00 |
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3cca41b72e
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print help without arguments. clarify help message and argument names text
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2022-02-12 09:38:05 -05:00 |
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69d3b1ebf3
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output files are now named .eam.alloy
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2022-02-12 09:37:23 -05:00 |
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0f5fbf1c42
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update citation info format
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2022-02-12 09:36:53 -05:00 |
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06d4bb3faf
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set date dynamically
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2022-02-12 09:33:37 -05:00 |
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e9b11e3673
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Added Python version of Zhou04_create_v2.f: create_eam.py and eamDatabase.py in tools/eam_database
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2022-02-12 12:42:54 +01:00 |
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60d03f34cc
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update create.f with changes from NIST database
also add parameters for Cr and document in README file and change
the code to create output files with .eam.alloy extension
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2022-02-10 14:41:25 -05:00 |
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b4b071ee60
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modernize fortran code in eam_database to replace features no longer allowed in fortran 2018
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2019-10-21 03:12:17 -04:00 |
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c527badb1a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4668 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-09-02 23:22:18 +00:00 |
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