git: 6aa84e4e0c56 - main - science/gcp: Improve pkg-descr
- Go to: [ bottom of page ] [ top of archives ] [ this month ]
Date: Fri, 10 Oct 2025 07:25:33 UTC
The branch main has been updated by yuri:
URL: https://cgit.FreeBSD.org/ports/commit/?id=6aa84e4e0c567bb6b8064df51b6efc6cf941771d
commit 6aa84e4e0c567bb6b8064df51b6efc6cf941771d
Author: Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2025-10-10 07:14:32 +0000
Commit: Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2025-10-10 07:25:25 +0000
science/gcp: Improve pkg-descr
---
science/gcp/pkg-descr | 11 +++++++++--
1 file changed, 9 insertions(+), 2 deletions(-)
diff --git a/science/gcp/pkg-descr b/science/gcp/pkg-descr
index 2f382bc095d9..07b8e2ada95b 100644
--- a/science/gcp/pkg-descr
+++ b/science/gcp/pkg-descr
@@ -1,2 +1,9 @@
-Geometrical Counter-Poise Correction
-for quantum chemistry.
+The gCP (Geometrical Counter-Poise) correction method is a way to deal
+with the basis set superposition error (BSSE) in quantum chemical
+calculations.
+
+The BSSE is a fundamental error that occurs in all practical electronic
+structure calculations that use finite basis sets. The gCP is a
+semi-empirical method that is much more efficient than the standard
+Boys-Bernardi counterpoise (BB-CP) correction, especially for geometry
+optimizations.