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Fortran

libpvol

Implementation of the PV computation as a standalone library

FortranEmerging

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2

Last push

2mo ago

Recent commits

Latest commits.

Merge pull request #5 from neudecker-group/develop_pv
55f4a73Felix Zeller17mo ago
updateted reference paper
7713b2fzellerf17mo ago
added unit test for probe and scaling and adjusted other test refdata to new integration weight
449ce70zellerf17mo ago
removed double multiplication with 4pi
b5893c8zellerf17mo ago
adjusted integration weight from numerical to analytical (vdw sphere surface area)
90d29f7zellerf17mo ago

fixed bug, proberad had wrong unit

64f776czellerf17mo ago

Merge pull request #4 from neudecker-group/develop_pv

af0a153Felix Zeller17mo ago

Merge branch 'main' into develop_pv

4b5239ezellerf17mo ago

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