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63cb88daae
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Printing the mutable parameters of the KIM portable models
Calling 'kim_init' would report the mutable parameters
of KIM portable models (PM) including parameter's name,
data type, and extent.
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2019-10-29 10:46:35 -05:00 |
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ea4107c4b4
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add write_echo() method to Input class for logging implicit commands where the echo command would send explicit ones
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2019-07-29 16:36:57 -04:00 |
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6a5902ec48
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Update kim_init to use KIM::Collections::GetItemType()
A bit of a cleaner solution. Should be no visible change for users.
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2019-07-26 11:14:46 -05:00 |
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47689b4ad3
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make include files independent of previously included headers. include them first in implementation files.
this is to be compliant with upcoming definition of include file policy
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2019-07-26 06:03:21 -04:00 |
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b5a066ecd0
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Better error checking for kim_init log.cite behavior
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2019-07-24 21:08:08 -05:00 |
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bb5a1c5205
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Adjust log.cite behavior
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2019-07-03 13:38:08 -05:00 |
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00d820dcf9
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Added support for log.cite to kim_init
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2019-07-03 13:20:55 -05:00 |
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63dcd999d8
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Switch to kim-api c-bindings for SimulatorModel
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2019-07-03 11:49:38 -05:00 |
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6d54cf6a07
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programming style changes
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2019-06-23 17:53:12 -04:00 |
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c6d0f807b5
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output messages that would otherwise only show up in logs only when logs are enable for screen or logfile
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2019-06-23 14:13:24 -04:00 |
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27d1f79fe3
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simplify another case of stringstream to use plain std::string
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2019-06-23 13:39:12 -04:00 |
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065638edba
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remove unused macro and reformat to closer match LAMMPS programming style
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2019-06-23 13:31:43 -04:00 |
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ac82aa754b
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correct off-by-one error and simplify code by using std::string instead of std::stringstream
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2019-06-23 13:13:05 -04:00 |
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4a22e3bf70
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Implement kim_init, kim_interactions & various updates
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2019-06-22 15:21:57 -05:00 |
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