/dports/science/tinker/tinker/example/ |
H A D | membrane.xyz | 19 18 HL2 12.863672 14.427694 20.816791 118 17 20 19 HL2 11.298842 15.150908 20.742216 118 17 27 26 HL2 12.201191 16.937209 16.465133 118 25 28 27 HL2 13.676648 16.021710 16.169517 118 25 35 34 HL2 11.104069 17.669735 12.678151 118 33 36 35 HL2 12.516614 17.329058 11.815548 118 33 38 37 HL2 15.197899 19.200253 14.509440 118 36 39 38 HL2 15.596571 18.725326 16.257678 118 36 44 43 HL2 17.298674 16.283456 12.789313 118 42 45 44 HL2 17.281830 15.084454 14.112029 118 42 [all …]
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H A D | lipid.xyz | 19 18 HL2 14.512000 12.764000 16.838000 118 17 20 19 HL2 15.155000 13.918000 18.107000 118 17 27 26 HL2 11.765000 15.781000 14.802000 118 25 28 27 HL2 13.067000 15.204000 13.914000 118 25 35 34 HL2 9.279000 16.983000 11.075000 118 33 36 35 HL2 10.561000 16.682000 9.861000 118 33 38 37 HL2 13.749000 18.654000 12.097000 118 36 39 38 HL2 14.233000 18.497000 13.903000 118 36 44 43 HL2 17.134000 15.448000 13.158000 118 42 45 44 HL2 18.221000 16.726000 12.638000 118 42 [all …]
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/dports/science/plumed/plumed2-2.7.2/regtest/dimred/rt-pca-2/ |
H A D | diala_traj_nm.xyz | 5 HL2 -0.378 0.044 0.107 29 HL2 -0.378 0.044 0.107 53 HL2 -0.389 -0.049 0.226 77 HL2 -0.329 0.128 0.228 101 HL2 -0.365 -0.069 0.236 125 HL2 -0.326 0.005 0.316 149 HL2 -0.326 0.011 0.318 173 HL2 -0.335 0.04 0.296 197 HL2 -0.327 0.155 0.192 221 HL2 -0.338 0.009 0.313 [all …]
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/dports/science/plumed/plumed2-2.7.2/regtest/dimred/rt-pca/ |
H A D | diala_traj_nm.xyz | 5 HL2 -0.378 0.044 0.107 29 HL2 -0.378 0.044 0.107 53 HL2 -0.389 -0.049 0.226 77 HL2 -0.329 0.128 0.228 101 HL2 -0.365 -0.069 0.236 125 HL2 -0.326 0.005 0.316 149 HL2 -0.326 0.011 0.318 173 HL2 -0.335 0.04 0.296 197 HL2 -0.327 0.155 0.192 221 HL2 -0.338 0.009 0.313 [all …]
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/dports/science/plumed/plumed2-2.7.2/regtest/dimred/rt-pca-osample/ |
H A D | diala_traj_nm.xyz | 5 HL2 -0.378 0.044 0.107 29 HL2 -0.378 0.044 0.107 53 HL2 -0.389 -0.049 0.226 77 HL2 -0.329 0.128 0.228 101 HL2 -0.365 -0.069 0.236 125 HL2 -0.326 0.005 0.316 149 HL2 -0.326 0.011 0.318 173 HL2 -0.335 0.04 0.296 197 HL2 -0.327 0.155 0.192 221 HL2 -0.338 0.009 0.313 [all …]
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/dports/science/plumed/plumed2-2.7.2/regtest/basic/rt39-mpi/ |
H A D | diala_traj_nm.xyz | 5 HL2 -0.378 0.044 0.107 29 HL2 -0.389 -0.049 0.226 53 HL2 -0.329 0.128 0.228 77 HL2 -0.365 -0.069 0.236 101 HL2 -0.326 0.005 0.316 125 HL2 -0.326 0.011 0.318 149 HL2 -0.335 0.04 0.296 173 HL2 -0.327 0.155 0.192 197 HL2 -0.338 0.009 0.313 221 HL2 -0.389 -0.049 0.16 [all …]
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/dports/science/plumed/plumed2-2.7.2/regtest/trajectories/ |
H A D | diala_traj_nm.xyz | 5 HL2 -0.378 0.044 0.107 29 HL2 -0.389 -0.049 0.226 53 HL2 -0.329 0.128 0.228 77 HL2 -0.365 -0.069 0.236 101 HL2 -0.326 0.005 0.316 125 HL2 -0.326 0.011 0.318 149 HL2 -0.335 0.04 0.296 173 HL2 -0.327 0.155 0.192 197 HL2 -0.338 0.009 0.313 221 HL2 -0.389 -0.049 0.16 [all …]
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/dports/science/plumed/plumed2-2.7.2/user-doc/tutorials/old_tutorials/belfast-5/JARZ/MAKE_ENSEMBLE/ |
H A D | all.gro | 5 1ALAD HL2 3 -0.385 0.013 0.078 30 1ALAD HL2 3 -0.392 -0.012 0.080 55 1ALAD HL2 3 -0.385 0.009 0.068 80 1ALAD HL2 3 -0.398 -0.006 0.095 105 1ALAD HL2 3 -0.384 -0.006 0.085 130 1ALAD HL2 3 -0.365 0.061 0.095 155 1ALAD HL2 3 -0.390 0.017 0.091 180 1ALAD HL2 3 -0.370 -0.080 0.150 205 1ALAD HL2 3 -0.385 0.047 0.110 230 1ALAD HL2 3 -0.357 0.098 0.104 [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/lib/mesont/ |
H A D | Spline1.f90 | 46 real(c_double) :: H6, H26, HL, HR, HL2, HR2 local 52 HL2 = HL * HL 55 … S1 = ( ( Mi * HL2 - Mi_1 * HR2 ) / 2.0d+00 + Yi - Yi_1 ) / Hi_1 - H6 * ( Mi - Mi_1 ) 130 real(c_double) :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH local 138 HL2 = HL * HL 152 real(c_double) :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH local 160 HL2 = HL * HL 165 … S1 = ( ( M(i) * HL2 - M(j) * HR2 ) / 2.0d+00 + F(i) - F(j) ) / H - H6 * ( M(i) - M(j) ) 174 real(c_double) :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH local 182 HL2 = HL * HL [all …]
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/dports/science/lammps/lammps-stable_29Sep2021/tools/mesont/TMDPotGen/ |
H A D | Spline1.f90 | 31 real*8 :: H6, H26, HL, HR, HL2, HR2 local 37 HL2 = HL * HL 40 … S1 = ( ( Mi * HL2 - Mi_1 * HR2 ) / 2.0d+00 + Yi - Yi_1 ) / Hi_1 - H6 * ( Mi - Mi_1 ) 115 real*8 :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH local 123 HL2 = HL * HL 137 real*8 :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH local 145 HL2 = HL * HL 150 … S1 = ( ( M(i) * HL2 - M(j) * HR2 ) / 2.0d+00 + F(i) - F(j) ) / H - H6 * ( M(i) - M(j) ) 159 real*8 :: HL, HR, H, H6, H26, HR2, HL2, HRH, HLH local 167 HL2 = HL * HL [all …]
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/dports/science/frontistr/FrontISTR-c66bdc397de319ca59a0565b3f3b1a3b33f0c50c/fistr1/src/lib/ |
H A D | precheck_LIB_3d.f90 | 62 HL2(1)= 0.0 63 HL2(2)= 1.0 64 HL2(3)= 0.0 65 HL2(4)= 0.0 173 HL2(1)=0.0 175 HL2(3)=0.0 176 HL2(4)=0.0 178 HL2(6)=0.0 428 HL2(1)= 0.0 430 HL2(3)= 0.0 [all …]
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/dports/lang/gcc6-aux/gcc-6-20180516/gcc/testsuite/gcc.target/bfin/ |
H A D | mul-combine.c | 20 #define DOTEST(IN1, IN2, HL1, HL2, HL3, HL4) \ argument 21 __builtin_bfin_multr_fr2x16 (GETVECT (HL1, HL2, IN1, IN1), \ 24 #define FUNC(HL1, HL2, HL3, HL4) \ argument 25 fract2x16 foo ## HL1 ## HL2 ## HL3 ## HL4 (fract2x16 a, fract2x16 b)\ 27 return DOTEST(a, b, HL1, HL2, HL3, HL4);\
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/dports/lang/gcc10/gcc-10.3.0/gcc/testsuite/gcc.target/bfin/ |
H A D | mul-combine.c | 20 #define DOTEST(IN1, IN2, HL1, HL2, HL3, HL4) \ argument 21 __builtin_bfin_multr_fr2x16 (GETVECT (HL1, HL2, IN1, IN1), \ 24 #define FUNC(HL1, HL2, HL3, HL4) \ argument 25 fract2x16 foo ## HL1 ## HL2 ## HL3 ## HL4 (fract2x16 a, fract2x16 b)\ 27 return DOTEST(a, b, HL1, HL2, HL3, HL4);\
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/dports/lang/gcc11-devel/gcc-11-20211009/gcc/testsuite/gcc.target/bfin/ |
H A D | mul-combine.c | 20 #define DOTEST(IN1, IN2, HL1, HL2, HL3, HL4) \ argument 21 __builtin_bfin_multr_fr2x16 (GETVECT (HL1, HL2, IN1, IN1), \ 24 #define FUNC(HL1, HL2, HL3, HL4) \ argument 25 fract2x16 foo ## HL1 ## HL2 ## HL3 ## HL4 (fract2x16 a, fract2x16 b)\ 27 return DOTEST(a, b, HL1, HL2, HL3, HL4);\
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/dports/lang/gcc11/gcc-11.2.0/gcc/testsuite/gcc.target/bfin/ |
H A D | mul-combine.c | 20 #define DOTEST(IN1, IN2, HL1, HL2, HL3, HL4) \ argument 21 __builtin_bfin_multr_fr2x16 (GETVECT (HL1, HL2, IN1, IN1), \ 24 #define FUNC(HL1, HL2, HL3, HL4) \ argument 25 fract2x16 foo ## HL1 ## HL2 ## HL3 ## HL4 (fract2x16 a, fract2x16 b)\ 27 return DOTEST(a, b, HL1, HL2, HL3, HL4);\
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/dports/devel/arm-none-eabi-gcc/gcc-8.4.0/gcc/testsuite/gcc.target/bfin/ |
H A D | mul-combine.c | 20 #define DOTEST(IN1, IN2, HL1, HL2, HL3, HL4) \ argument 21 __builtin_bfin_multr_fr2x16 (GETVECT (HL1, HL2, IN1, IN1), \ 24 #define FUNC(HL1, HL2, HL3, HL4) \ argument 25 fract2x16 foo ## HL1 ## HL2 ## HL3 ## HL4 (fract2x16 a, fract2x16 b)\ 27 return DOTEST(a, b, HL1, HL2, HL3, HL4);\
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/dports/devel/riscv64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gcc.target/bfin/ |
H A D | mul-combine.c | 20 #define DOTEST(IN1, IN2, HL1, HL2, HL3, HL4) \ argument 21 __builtin_bfin_multr_fr2x16 (GETVECT (HL1, HL2, IN1, IN1), \ 24 #define FUNC(HL1, HL2, HL3, HL4) \ argument 25 fract2x16 foo ## HL1 ## HL2 ## HL3 ## HL4 (fract2x16 a, fract2x16 b)\ 27 return DOTEST(a, b, HL1, HL2, HL3, HL4);\
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/dports/devel/riscv32-unknown-elf-gcc/gcc-8.4.0/gcc/testsuite/gcc.target/bfin/ |
H A D | mul-combine.c | 20 #define DOTEST(IN1, IN2, HL1, HL2, HL3, HL4) \ argument 21 __builtin_bfin_multr_fr2x16 (GETVECT (HL1, HL2, IN1, IN1), \ 24 #define FUNC(HL1, HL2, HL3, HL4) \ argument 25 fract2x16 foo ## HL1 ## HL2 ## HL3 ## HL4 (fract2x16 a, fract2x16 b)\ 27 return DOTEST(a, b, HL1, HL2, HL3, HL4);\
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/dports/devel/aarch64-none-elf-gcc/gcc-8.4.0/gcc/testsuite/gcc.target/bfin/ |
H A D | mul-combine.c | 20 #define DOTEST(IN1, IN2, HL1, HL2, HL3, HL4) \ argument 21 __builtin_bfin_multr_fr2x16 (GETVECT (HL1, HL2, IN1, IN1), \ 24 #define FUNC(HL1, HL2, HL3, HL4) \ argument 25 fract2x16 foo ## HL1 ## HL2 ## HL3 ## HL4 (fract2x16 a, fract2x16 b)\ 27 return DOTEST(a, b, HL1, HL2, HL3, HL4);\
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/dports/lang/gcc9-aux/gcc-9.1.0/gcc/testsuite/gcc.target/bfin/ |
H A D | mul-combine.c | 20 #define DOTEST(IN1, IN2, HL1, HL2, HL3, HL4) \ argument 21 __builtin_bfin_multr_fr2x16 (GETVECT (HL1, HL2, IN1, IN1), \ 24 #define FUNC(HL1, HL2, HL3, HL4) \ argument 25 fract2x16 foo ## HL1 ## HL2 ## HL3 ## HL4 (fract2x16 a, fract2x16 b)\ 27 return DOTEST(a, b, HL1, HL2, HL3, HL4);\
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/dports/lang/gcc48/gcc-4.8.5/gcc/testsuite/gcc.target/bfin/ |
H A D | mul-combine.c | 20 #define DOTEST(IN1, IN2, HL1, HL2, HL3, HL4) \ argument 21 __builtin_bfin_multr_fr2x16 (GETVECT (HL1, HL2, IN1, IN1), \ 24 #define FUNC(HL1, HL2, HL3, HL4) \ argument 25 fract2x16 foo ## HL1 ## HL2 ## HL3 ## HL4 (fract2x16 a, fract2x16 b)\ 27 return DOTEST(a, b, HL1, HL2, HL3, HL4);\
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/dports/lang/gcc9-devel/gcc-9-20211007/gcc/testsuite/gcc.target/bfin/ |
H A D | mul-combine.c | 20 #define DOTEST(IN1, IN2, HL1, HL2, HL3, HL4) \ argument 21 __builtin_bfin_multr_fr2x16 (GETVECT (HL1, HL2, IN1, IN1), \ 24 #define FUNC(HL1, HL2, HL3, HL4) \ argument 25 fract2x16 foo ## HL1 ## HL2 ## HL3 ## HL4 (fract2x16 a, fract2x16 b)\ 27 return DOTEST(a, b, HL1, HL2, HL3, HL4);\
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/dports/devel/arm-none-eabi-gcc492/gcc-4.9.2/gcc/testsuite/gcc.target/bfin/ |
H A D | mul-combine.c | 20 #define DOTEST(IN1, IN2, HL1, HL2, HL3, HL4) \ argument 21 __builtin_bfin_multr_fr2x16 (GETVECT (HL1, HL2, IN1, IN1), \ 24 #define FUNC(HL1, HL2, HL3, HL4) \ argument 25 fract2x16 foo ## HL1 ## HL2 ## HL3 ## HL4 (fract2x16 a, fract2x16 b)\ 27 return DOTEST(a, b, HL1, HL2, HL3, HL4);\
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/dports/lang/gcc8/gcc-8.5.0/gcc/testsuite/gcc.target/bfin/ |
H A D | mul-combine.c | 20 #define DOTEST(IN1, IN2, HL1, HL2, HL3, HL4) \ argument 21 __builtin_bfin_multr_fr2x16 (GETVECT (HL1, HL2, IN1, IN1), \ 24 #define FUNC(HL1, HL2, HL3, HL4) \ argument 25 fract2x16 foo ## HL1 ## HL2 ## HL3 ## HL4 (fract2x16 a, fract2x16 b)\ 27 return DOTEST(a, b, HL1, HL2, HL3, HL4);\
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/dports/lang/gnat_util/gcc-6-20180516/gcc/testsuite/gcc.target/bfin/ |
H A D | mul-combine.c | 20 #define DOTEST(IN1, IN2, HL1, HL2, HL3, HL4) \ argument 21 __builtin_bfin_multr_fr2x16 (GETVECT (HL1, HL2, IN1, IN1), \ 24 #define FUNC(HL1, HL2, HL3, HL4) \ argument 25 fract2x16 foo ## HL1 ## HL2 ## HL3 ## HL4 (fract2x16 a, fract2x16 b)\ 27 return DOTEST(a, b, HL1, HL2, HL3, HL4);\
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