Read SOC parameters from GTH PP database file#2848
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mkrack merged 1 commit intocp2k:masterfrom Jul 3, 2023
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mkrack
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Jul 2, 2023
- Add SOC keyword for spin-orbit coupling to database file as a new extension of GTH PP format
- Rename database file from GTH_POTENTIALS_SOC to GTH_SOC_POTENTIALS
- Improve proper indentation and spacing in restart file dump
- Add quotes for char_t variables in restart file
- Replace spaces in the project name with underscores
- Add SOC keyword for spin-orbit coupling to database file as a new extension of GTH PP format - Rename database file from GTH_POTENTIALS_SOC to GTH_SOC_POTENTIALS - Improve proper indentation and spacing in restart file dump - Add quotes for char_t variables in restart file - Replace spaces in the project name with underscores
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