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poet/src
History
Max Lübke 5664153cf9 fix: handle zero distance case in inverseDistanceWeighting to prevent division by zero
2024-12-20 09:21:18 +01:00
..
Base
feat: use CLI11 as argument parser
2024-09-16 11:57:00 +02:00
Chemistry
fix: handle zero distance case in inverseDistanceWeighting to prevent division by zero
2024-12-20 09:21:18 +01:00
DataStructures
Refactor process to output as DataFrames
2024-04-10 10:24:00 +00:00
Init
feat: add with_h0_o0 and with_redox parameters to ChemistryModule and related classes
2024-12-20 09:21:18 +01:00
Transport
Less and more informative stdout messages
2024-12-20 09:21:16 +01:00
CMakeLists.txt
feat: use CLI11 as argument parser
2024-09-16 11:57:00 +02:00
initializer.cpp
fix: initialize includeH0O0 to false in command line options
2024-12-20 09:21:17 +01:00
poet.cpp
feat: add dht_snaps and dht_out_dir parameters to ChemistryModule and main function
2024-12-20 09:21:17 +01:00
poet.hpp.in
Added qs2 as new default format
2024-12-20 09:21:15 +01:00
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