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stop_all(this_routine, "Not yet supported") should also say "turn off HISTSPAWN, PRINTFCIMCPSI, PRINTORBOCCS, HISTPARTENERGIES, HIST-SPIN-DIST" and it should be printed IMMEDIATELY after program start, instead of after several hours, as it does currently. #6

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ndattani opened this issue Apr 18, 2019 · 2 comments
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stop_all(this_routine, "Not yet supported") should also say "turn off HISTSPAWN, PRINTFCIMCPSI, PRINTORBOCCS, HISTPARTENERGIES, HIST-SPIN-DIST" and it should be printed IMMEDIATELY after program start, instead of after several hours, as it does currently. #6

ndattani opened this issue Apr 18, 2019 · 2 comments
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@ndattani ndattani self-assigned this Apr 18, 2019
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ndattani commented May 2, 2019

Corrected error message and successfully compiled. Now just have to make the error message come earlier so that user doesn't have to wait several hours just to find out there was something wrong with the input file.

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ndattani commented May 4, 2019

Error message should now come at the beginning, and it canbe tested here: /algpfs/dattani/femoco/DLA76/mneci/4states/2states/defineDet/280cores/newNECI

but 0submit needs to be changed to a new version of NECI that has the new code.

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