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66ddcd86a3
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USER-INTEL: Explictly disabling G2S opts to improve lj/cut, eam, and dpd performance. Removing -fno-alias flag from Makefiles due to issues with 2019 compilers and adding explicit _noalias qualifier for some variables to compensate.
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2019-09-17 02:50:37 -07:00 |
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074ae06b36
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Bug fix for eam/intel per-atom energy calculation.
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2019-08-01 02:19:49 -07:00 |
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61483da58b
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error out when per-atom stress is requested
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2019-03-28 12:25:40 -04:00 |
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06a57dd659
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use ev_unset for all pair styles
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2019-03-13 17:49:16 +01:00 |
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c37deebffa
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Adding full hybrid support to USER-INTEL package and fixing bug with EAM parameter initialization.
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2018-10-11 05:12:00 -07:00 |
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71bc72ec13
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formatting: add additional space to avoid bad syntax highlights
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2018-08-27 22:13:43 -04:00 |
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92a4dc25b1
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Fix unused params in packages (#1076)
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2018-08-24 10:42:08 -06:00 |
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2fe0eabc09
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Intel Package: Bug fix when using LRT with minimize. Bug fix for virial calculation when using GNU compilers. Most of framework for adding hybrid support is now in place.
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2018-06-22 01:52:55 -07:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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14aa036f36
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add missing header files to USER-INTEL package
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2017-12-01 15:53:02 -05:00 |
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3c329d1707
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massive whitespace cleanup in USER-INTEL
removed are:
- DOS/Windows text format carriage return characters (^M)
- tabs replaced with spaces (tabs are evil!!)
- trailing whitespace
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2017-06-19 13:23:01 -04:00 |
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9b9f6d6fe2
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USER-INTEL upgrade from M Brown
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2017-06-16 16:56:28 -06:00 |
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c31f1e9f22
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add fix mscg command, example, lib
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2017-01-09 13:36:40 -07:00 |
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