CV:NASBPP: Difference between revisions

99 bytes added ,  12 February 2019
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| [[Mask format|mask]]
| [[Mask format|mask]]
|
|
| atom from '''A''' base defining origin of y-axis
| atom defining origin of y-axis
|-
|-
| '''group_d'''
| '''group_d'''
| [[Mask format|mask]]
| [[Mask format|mask]]
|
|
| atom from '''B''' base defining end of y-axis
| atom defining end of y-axis
|-
|-
| '''parameter'''
| '''parameter'''
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|
|
| type of parameter (one of): shear, stretch, stagger, buckle, propeller, opening
| type of parameter (one of): shear, stretch, stagger, buckle, propeller, opening
|-
| skip_mass_test
| logical
| .false.
| if .true. it does not control atom masses between the system and loaded reference structures
|}
|}
''Keys in bold are mandatory.''
''Keys in bold are mandatory.''