Fixing implicit solvation in tblite and safer MKL handling#331
Merged
pprcht merged 32 commits intocrest-lab:masterfrom Aug 19, 2024
Merged
Fixing implicit solvation in tblite and safer MKL handling#331pprcht merged 32 commits intocrest-lab:masterfrom
pprcht merged 32 commits intocrest-lab:masterfrom
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This was referenced Aug 19, 2024
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Key points:
xtb-consistent ALPB/GBSA implicit solvation viatblitefrom a fork of the repository to address Inconsitent implicit solvation between tblite and xtb #312--newversion)