Changeset cc9c36 for pcp/src/run.c

Timestamp:

Apr 22, 2008, 12:29:35 PM (18 years ago)

Author:

Frederik Heber <heber@…>

Children:

9bdd86

Parents:

87b8ed

Message:

CalculateChemicalShielding() renamed to CalculateMagneticMoment() and (small) changes to code.

The routine does already almost all that's wanted for moments, only prefactors needed change. The rest was just renaming [sS]igma to [mM]oment.

File:

• pcp/src/run.c (modified) (1 diff)

pcp/src/run.c

@@ -1138 +1138 @@
           CalculateMagneticSusceptibility(P);
           debug(P,"Normal calculation of shielding over R-space");
-          CalculateChemicalShielding(P);
+          CalculateMagneticMoment(P);
           CalculateChemicalShieldingByReciprocalCurrentDensity(P);
           SpeedMeasure(P, CurrDensTime, StopTimeDo);