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Bug 21629
libball, ballview: biochemical algorithms library, free molecular modeling and molecular graphics tool
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[patch]
BALL-1.3.0-alt-gcc44.patch
BALL-1.3.0-alt-gcc44.patch (text/plain), 1.48 KB, created by
Michael Shigorin
on 2009-09-19 19:57:06 MSD
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Description:
BALL-1.3.0-alt-gcc44.patch
Filename:
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Creator:
Michael Shigorin
Created:
2009-09-19 19:57:06 MSD
Size:
1.48 KB
patch
obsolete
>diff -Naur BALL-1.3.0-orig/source/MOLMEC/AMBER/amberNonBonded.C BALL-1.3.0/source/MOLMEC/AMBER/amberNonBonded.C >--- BALL-1.3.0-orig/source/MOLMEC/AMBER/amberNonBonded.C 2009-09-17 21:50:39 +0000 >+++ BALL-1.3.0/source/MOLMEC/AMBER/amberNonBonded.C 2009-09-18 20:28:26 +0000 >@@ -892,9 +892,9 @@ > double cut_on_vdw_2 = SQR(cut_on_vdw_); > > SwitchingCutOnOff cutoffs_es >- = { cut_off_electrostatic_2, cut_on_electrostatic_2, inverse_distance_off_on_electrostatic_3_ }; >+ = { (float)cut_off_electrostatic_2, (float)cut_on_electrostatic_2, (float)inverse_distance_off_on_electrostatic_3_ }; > SwitchingCutOnOff cutoffs_vdw >- = { cut_off_vdw_2, cut_on_vdw_2, inverse_distance_off_on_vdw_3_ }; >+ = { (float)cut_off_vdw_2, (float)cut_on_vdw_2, (float)inverse_distance_off_on_vdw_3_ }; > > // Define the different components of the non-bonded energy > double vdw_energy = 0.0; >diff -Naur BALL-1.3.0-orig/source/SCORING/COMPONENTS/vanDerWaals.C BALL-1.3.0/source/SCORING/COMPONENTS/vanDerWaals.C >--- BALL-1.3.0-orig/source/SCORING/COMPONENTS/vanDerWaals.C 2009-09-17 21:50:39 +0000 >+++ BALL-1.3.0/source/SCORING/COMPONENTS/vanDerWaals.C 2009-09-18 21:04:13 +0000 >@@ -579,7 +579,7 @@ > inverse_distance_off_on_vdw_3 *= SQR(inverse_distance_off_on_vdw_3); > > SwitchingCutOnOff cutoffs_vdw >- = { cut_off_vdw_2, cut_on_vdw_2, inverse_distance_off_on_vdw_3 }; >+ = { (float)cut_off_vdw_2, (float)cut_on_vdw_2, (float)inverse_distance_off_on_vdw_3 }; > > double vdw_energy_1_4 = 0.0; > double vdw_energy = 0.0;
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