/dports/science/lammps/lammps-stable_29Sep2021/lib/colvars/ |
H A D | colvarbias_restraint.cpp | 154 force_k = -1.0; in colvarbias_restraint_k() 161 get_keyval(conf, "forceConstant", force_k, (force_k > 0.0 ? force_k : 1.0)); in init() 172 get_keyval(conf, "forceConstant", force_k, force_k); in change_configuration() 674 get_keyval(conf, "forceConstant", force_k, force_k, in set_state_params() 853 force_k = old_force_k; in energy_difference() 964 lower_wall_k /= force_k; in init() 965 upper_wall_k /= force_k; in init() 969 force_k = lower_wall_k; in init() 973 force_k = upper_wall_k; in init() 979 starting_force_k = force_k; in init() [all …]
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H A D | colvarbias_restraint.h | 92 cvm::real force_k; 356 cvm::real force_k; variable
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/colvars/ |
H A D | colvarbias.cpp | 127 get_keyval (conf, "forceConstant", force_k, 1.0); in colvarbias_harmonic() 132 cvm::to_str (force_k/(colvars[i]->width*colvars[i]->width))+ in colvarbias_harmonic() 171 starting_force_k = force_k; in colvarbias_harmonic() 226 get_keyval (conf, "forceConstant", force_k, force_k); in change_configuration() 242 get_keyval (conf, "forceConstant", alt_force_k, force_k); in energy_difference() 278 force_k = starting_force_k + (target_force_k - starting_force_k) in update() 282 cvm::log ("Setting force constant to " + cvm::to_str (force_k)); in update() 391 force_k = starting_force_k + (target_force_k - starting_force_k) in update() 402 (-0.5) * force_k / in update() 476 if (!get_keyval (conf, "forceConstant", force_k)) in read_restart() [all …]
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H A D | colvarbias.h | 148 cvm::real force_k; variable
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_o3c_types.F | 41 REAL(KIND=dp), DIMENSION(:, :), POINTER :: force_k component 213 NULLIFY (ijk%force_k) 309 IF (ASSOCIATED(ijk(i)%force_k)) THEN 310 DEALLOCATE (ijk(i)%force_k) 434 integral, tvec, force_i, force_j, force_k) argument 442 REAL(KIND=dp), DIMENSION(:, :), OPTIONAL, POINTER :: tvec, force_i, force_j, force_k local 482 IF (PRESENT(force_k)) force_k => ijk%force_k 575 SUBROUTINE set_o3c_container(o3c_iterator, mepos, integral, tvec, force_i, force_j, force_k) argument 580 REAL(KIND=dp), DIMENSION(:, :), OPTIONAL, POINTER :: tvec, force_i, force_j, force_k local 607 IF (PRESENT(force_k)) ijk%force_k => force_k
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H A D | qs_o3c_methods.F | 127 integral=iabc, tvec=tvec, force_i=fi, force_j=fj, force_k=fk) 316 integral=iabc, tvec=tvec, force_i=fi, force_j=fj, force_k=fk)
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H A D | lri_forces.F | 809 rij=rij, rik=rik, force_i=fi, force_j=fj, force_k=fk)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_o3c_types.F | 41 REAL(KIND=dp), DIMENSION(:, :), POINTER :: force_k component 213 NULLIFY (ijk%force_k) 309 IF (ASSOCIATED(ijk(i)%force_k)) THEN 310 DEALLOCATE (ijk(i)%force_k) 434 integral, tvec, force_i, force_j, force_k) argument 442 REAL(KIND=dp), DIMENSION(:, :), OPTIONAL, POINTER :: tvec, force_i, force_j, force_k local 482 IF (PRESENT(force_k)) force_k => ijk%force_k 575 SUBROUTINE set_o3c_container(o3c_iterator, mepos, integral, tvec, force_i, force_j, force_k) argument 580 REAL(KIND=dp), DIMENSION(:, :), OPTIONAL, POINTER :: tvec, force_i, force_j, force_k local 607 IF (PRESENT(force_k)) ijk%force_k => force_k
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H A D | qs_o3c_methods.F | 108 integral=iabc, tvec=tvec, force_i=fi, force_j=fj, force_k=fk) 297 integral=iabc, tvec=tvec, force_i=fi, force_j=fj, force_k=fk)
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H A D | lri_forces.F | 809 rij=rij, rik=rik, force_i=fi, force_j=fj, force_k=fk)
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/dports/graphics/py-box2d-py/box2d-py-2.3.8/examples/ |
H A D | gish_tribute.py | 61 def add_spring_force(bodyA, localA, bodyB, localB, force_k, friction, argument 76 forceMag = -force_k * (dx - desiredDist) - friction * vrel
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/dports/science/gromacs/gromacs-2021.4/api/nblib/listed_forces/ |
H A D | kernels.hpp | 515 gmx::RVec* force_k) in spreadThreeCenterForces() argument 542 (*force_k)[m] += f_k[m]; in spreadThreeCenterForces() 552 gmx::RVec* force_k, in spreadFourCenterForces() argument 581 rvec_dec(force_k->as_vec(), f_k); /* 3 */ in spreadFourCenterForces()
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/dports/science/openbabel/openbabel-3.1.1/src/ |
H A D | forcefield.cpp | 3727 VectorClear(force_k); in VectorAngleDerivative() 3743 VectorClear(force_k); in VectorAngleDerivative() 3771 VectorDivide(t2, l_jk, force_k); in VectorAngleDerivative() 3957 VectorClear(force_k); in VectorOOPDerivative() 3970 VectorClear(force_k); in VectorOOPDerivative() 3981 VectorClear(force_k); in VectorOOPDerivative() 3999 VectorClear(force_k); in VectorOOPDerivative() 4014 VectorClear(force_k); in VectorOOPDerivative() 4025 VectorClear(force_k); in VectorOOPDerivative() 4048 VectorAdd(cn, temp, force_k); in VectorOOPDerivative() [all …]
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/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/lib/hotint/HotInt_V1/ElementsLib/constraints/ |
H A D | RigidBodyJoints.cpp | 2515 force_k = ce.force_k; in CopyFrom() 2539 force_k = 0; in ElementDefaultConstructorInitialization() 2741 f = force_k + force_d; in ComputeForce() 2882 force_k = RWdata.value; in WriteSingleElementData() 3552 force_k = 0; in ElementDefaultConstructorInitialization() 3576 force_k = ce.force_k; in CopyFrom() 3684 f = force_k + force_d; in ComputeForce() 3894 force_k = RWdata.value; in WriteSingleElementData()
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H A D | RigidBodyJoints.h | 814 double force_k; variable 1192 double force_k; variable
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/dports/biology/protomol/protomol/doc/ProofAngleForce/ |
H A D | proof.tex | 98 \label{force_k} label 216 Equation~{\ref{force_k}}. The correctness of Equation~{\ref{force_j}}
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/dports/biology/protomol/protomol/doc/AngleHessian/ |
H A D | hessian.tex | 309 \label{force_k} label 420 Equation~({\ref{force_k}}). The correctness of Equation~({\ref{force_j}})
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