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rdkit 202503.1-4
  • links: PTS, VCS
  • area: main
  • in suites: trixie
  • size: 220,160 kB
  • sloc: cpp: 399,240; python: 77,453; ansic: 25,517; java: 8,173; javascript: 4,005; sql: 2,389; yacc: 1,565; lex: 1,263; cs: 1,081; makefile: 578; xml: 229; fortran: 183; sh: 105

Folder: CrystalFF

d .. (parent)
- - rw-r--r-- 174 CMakeLists.txt
- - rw-r--r-- 6,704 TorsionAngleContribs.cpp
- - rw-r--r-- 3,676 TorsionAngleContribs.h
- - rw-r--r-- 5,317 TorsionAngleM6.cpp
- - rw-r--r-- 2,258 TorsionAngleM6.h
- - rw-r--r-- 13,991 TorsionPreferences.cpp
- - rw-r--r-- 2,177 TorsionPreferences.h
- - rw-r--r-- 7,652 testCrystalFF.cpp
- - rw-r--r-- 34,610 torsionPreferences_macrocycles.in
- - rw-r--r-- 11,537 torsionPreferences_smallrings.in
- - rw-r--r-- 33,891 torsionPreferences_v1.in
- - rw-r--r-- 30,384 torsionPreferences_v2.in