 ../
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samples/
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1320
(20 years ago)
by chrisfen:
Added C70 sample
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obj/
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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visualizerCmd.h
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1361
(19 years ago)
by gezelter:
using gengetopts --unamed-opts="SHAPEFILE [OUTPUTFILE]"
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visualizerCmd.c
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1361
(19 years ago)
by gezelter:
using gengetopts --unamed-opts="SHAPEFILE [OUTPUTFILE]"
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visualizer.ggo
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1361
(19 years ago)
by gezelter:
using gengetopts --unamed-opts="SHAPEFILE [OUTPUTFILE]"
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visualizer.cpp
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1361
(19 years ago)
by gezelter:
using gengetopts --unamed-opts="SHAPEFILE [OUTPUTFILE]"
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shaperCmd.h
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1360
(19 years ago)
by gezelter:
Changes for CGI and for gengetopts --unamed-opt="PDBFILE"
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shaperCmd.c
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1360
(19 years ago)
by gezelter:
Changes for CGI and for gengetopts --unamed-opt="PDBFILE"
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shaper.ggo
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1360
(19 years ago)
by gezelter:
Changes for CGI and for gengetopts --unamed-opt="PDBFILE"
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shaper.cpp
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1360
(19 years ago)
by gezelter:
Changes for CGI and for gengetopts --unamed-opt="PDBFILE"
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seminaive.h
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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seminaive.c
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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primitive.h
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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primitive.c
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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pmls.h
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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pmls.c
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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oplsaal.vdw
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1244
(20 years ago)
by gezelter:
Migrated vdw files from OOPSE
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naive_synthesis.h
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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naive_synthesis.c
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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makeweights.h
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1289
(20 years ago)
by chrisfen:
Fixed linking specification issues
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makeweights.c
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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gaff.vdw
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1244
(20 years ago)
by gezelter:
Migrated vdw files from OOPSE
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cospmls.h
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1289
(20 years ago)
by chrisfen:
Fixed linking specification issues
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cospmls.c
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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charmm27.vdw
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1244
(20 years ago)
by gezelter:
Migrated vdw files from OOPSE
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calc_shapes.f90
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1360
(19 years ago)
by gezelter:
Changes for CGI and for gengetopts --unamed-opt="PDBFILE"
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amber99.vdw
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1244
(20 years ago)
by gezelter:
Migrated vdw files from OOPSE
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VDWAtom.hpp
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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VDWAtom.cpp
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1240
(20 years ago)
by gezelter:
Initial import of SHAPES code
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SphereHarm.hpp
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1360
(19 years ago)
by gezelter:
Changes for CGI and for gengetopts --unamed-opt="PDBFILE"
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SphereHarm.cpp
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1360
(19 years ago)
by gezelter:
Changes for CGI and for gengetopts --unamed-opt="PDBFILE"
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SHFunc.hpp
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1309
(20 years ago)
by chrisfen:
Coefficients are now multiplied by the normalization factor - no longer do we need normalization in the visualizer
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SHFunc.cpp
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1309
(20 years ago)
by chrisfen:
Coefficients are now multiplied by the normalization factor - no longer do we need normalization in the visualizer
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SHAPE.hpp
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1300
(20 years ago)
by gezelter:
Fixes for visualizer for amira
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SHAPE.cpp
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1300
(20 years ago)
by gezelter:
Fixes for visualizer for amira
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RigidBody.hpp
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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RigidBody.cpp
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1292
(20 years ago)
by chrisfen:
Spherical harmonic tranformations are fully integrated and working
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PDBReader.hpp
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1360
(19 years ago)
by gezelter:
Changes for CGI and for gengetopts --unamed-opt="PDBFILE"
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PDBReader.cpp
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1360
(19 years ago)
by gezelter:
Changes for CGI and for gengetopts --unamed-opt="PDBFILE"
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MatVec3.h
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1271
(20 years ago)
by gezelter:
Major changes for rigidbodies
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MatVec3.c
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1271
(20 years ago)
by gezelter:
Major changes for rigidbodies
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Makefile
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1360
(19 years ago)
by gezelter:
Changes for CGI and for gengetopts --unamed-opt="PDBFILE"
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Make.dep
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1295
(20 years ago)
by gezelter:
renamed forcer, modified factorial, fixed makefile
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LJ.vdw
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1244
(20 years ago)
by gezelter:
Migrated vdw files from OOPSE
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GridBuilder.hpp
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1287
(20 years ago)
by chrisfen:
Major progress towards inclusion of spherical harmonic transform capability - still having some build issues...
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GridBuilder.cpp
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1308
(20 years ago)
by chrisfen:
Fixed the phi grid range for the final time (hopefully)
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FST_semi_memo.h
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1294
(20 years ago)
by chrisfen:
Removed some unnecessary C functions from the SHT code
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FST_semi_memo.c
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1294
(20 years ago)
by chrisfen:
Removed some unnecessary C functions from the SHT code
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