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17 lines
600 B
Diff
17 lines
600 B
Diff
# IT4Innovations 2022
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# JK
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#
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# Changes the ntypx parameter to 32 based on a user request (RT#42268).
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diff -ruN qe-7.1.orig/Modules/parameters.f90 qe-7.1/Modules/parameters.f90
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--- qe-7.1.orig/Modules/parameters.f90 2022-12-01 13:39:23.964114000 +0100
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+++ qe-7.1/Modules/parameters.f90 2022-12-01 13:40:18.080308000 +0100
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@@ -15,7 +15,7 @@
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INTEGER, PARAMETER :: npk = 40000
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!! max number of k-points
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- INTEGER, PARAMETER :: ntypx = 10
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+ INTEGER, PARAMETER :: ntypx = 32
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!! max number of different types of atom
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INTEGER, PARAMETER :: nsx = ntypx
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!! max number of atomic species (CP)
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