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docking
ocladock
Commits
85984c96
Commit
85984c96
authored
Aug 13, 2018
by
lvs
Browse files
commented out unused grad-based var,
#27
parent
eba872d4
Changes
2
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host/inc/performdocking.h
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85984c96
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@@ -52,6 +52,7 @@ Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
#define ELAPSEDSECS(stop,start) ((float) stop-start)/((float) CLOCKS_PER_SEC)
#if 0
// Experimental TSRI gradient-based minimizer kernel argument
// Setup here (temporarily?) the gradient-based minimizer and associated parameters.
// This should be ultimately configurable by the user as program exec. flags.
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@@ -64,6 +65,7 @@ typedef struct {
float conformation_min_perturbation [ACTUAL_GENOTYPE_LENGTH];
*/
} Gradientparameters;
#endif
int
docking_with_gpu
(
const
Gridinfo
*
mygrid
,
/*const*/
float
*
cpu_floatgrids
,
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host/src/performdocking.cpp
View file @
85984c96
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@@ -469,10 +469,12 @@ filled with clock() */
printf("dockpars.rotbondlist_length:%u\n", dockpars.rotbondlist_length);
*/
#if 0
// Experimental TSRI gradient-based minimizer kernel argument
// Setup here (temporarily?) the gradient and associated parameters.
// This should be ultimately configurable by the user as program exec. flags.
Gradientparameters gradientpars;
#endif
//----------------------------------
// fastergrad
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Leonardo Solis
@solis
mentioned in issue
#27 (closed)
·
Aug 13, 2018
mentioned in issue
#27 (closed)
mentioned in issue #27
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