The stride(x,y,z) function uses the current timestep to generate a new timestep. X,y >= 0 and z > 0 and x <= y are required. The generated -timesteps increase in increments of z, from x to y, I.e. it generates +timesteps increase in increments of z, from x to y, i.e. it generates the sequece x,x+z,x+2z,...,y. If y-x is not a multiple of z, then similar to the way a for loop operates, the last value will be one that does not exceed y. For any current timestep, the next timestep -in the sequence is returned. Thus if stagger(1000,2000,100) is used +in the sequence is returned. Thus if stride(1000,2000,100) is used in a variable by the dump_modify every command, it will generate the sequence of output timesteps:
1000,1100,1200, ... ,1900,2000+
The stride2(x,y,z,a,b,c) function is similar to the stride() function +except it generates two sets of strided timesteps, one at a coarser +level and one at a finer level. Thus it is useful for debugging, +e.g. to produce output every timestep at the point in simulation when +a problem occurs. X,y >= 0 and z > 0 and x <= y are required, as are +a,b >= 0 and c > 0 and a < b. Also, a >= x and b <= y are required so +that the second stride is inside the first. The generated timesteps +increase in increments of z, starting at x, until a is reached. At +that point the timestep increases in increments of c, from a to b, +then after b, increments by z are resumed until y is reached. For any +current timestep, the next timestep in the sequence is returned. Thus +if stride(1000,2000,100,1350,1360,1) is used in a variable by the +dump_modify every command, it will generate the +sequence of output timesteps: +
+1000,1100,1200,1300,1350,1351,1352, ... 1359,1360,1400,1500, ... ,2000 +
The vdisplace(x,y) function takes 2 arguments: x = value0 and y = velocity, and uses the elapsed time to change the value by a linear displacement due to the applied velocity over the course of a run, diff --git a/doc/variable.txt b/doc/variable.txt index c2805fed8a..868c0d70b3 100644 --- a/doc/variable.txt +++ b/doc/variable.txt @@ -49,7 +49,7 @@ style = {delete} or {index} or {loop} or {world} or {universe} or {uloop} or {st math functions = sqrt(x), exp(x), ln(x), log(x), abs(x), sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x), random(x,y,z), normal(x,y,z), ceil(x), floor(x), round(x) - ramp(x,y), stagger(x,y), logfreq(x,y,z), stride(x,y,z), vdisplace(x,y), swiggle(x,y,z), cwiggle(x,y,z) + ramp(x,y), stagger(x,y), logfreq(x,y,z), stride(x,y,z), stride2(x,y,z,a,b,c), vdisplace(x,y), swiggle(x,y,z), cwiggle(x,y,z) group functions = count(group), mass(group), charge(group), xcm(group,dim), vcm(group,dim), fcm(group,dim), bound(group,dir), gyration(group), ke(group), @@ -371,7 +371,7 @@ Constant: PI Thermo keywords: vol, pe, ebond, etc Math operators: (), -x, x+y, x-y, x*y, x/y, x^y, x%y, Math operators: (), -x, x+y, x-y, x*y, x/y, x^y, x%y, x == y, x != y, x < y, x <= y, x > y, x >= y, x && y, x || y, !x -Math functions: sqrt(x), exp(x), ln(x), log(x), abs(x), sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x), random(x,y,z), normal(x,y,z), ceil(x), floor(x), round(x), ramp(x,y), stagger(x,y), logfreq(x,y,z), stride(x,y,z), vdisplace(x,y), swiggle(x,y,z), cwiggle(x,y,z) +Math functions: sqrt(x), exp(x), ln(x), log(x), abs(x), sin(x), cos(x), tan(x), asin(x), acos(x), atan(x), atan2(y,x), random(x,y,z), normal(x,y,z), ceil(x), floor(x), round(x), ramp(x,y), stagger(x,y), logfreq(x,y,z), stride(x,y,z), stride2(x,y,z,a,b,c), vdisplace(x,y), swiggle(x,y,z), cwiggle(x,y,z) Group functions: count(ID), mass(ID), charge(ID), xcm(ID,dim), \ vcm(ID,dim), fcm(ID,dim), bound(ID,dir), \ gyration(ID), ke(ID), angmom(ID,dim), torque(ID,dim), \ @@ -542,16 +542,33 @@ output timesteps: The stride(x,y,z) function uses the current timestep to generate a new timestep. X,y >= 0 and z > 0 and x <= y are required. The generated -timesteps increase in increments of z, from x to y, I.e. it generates +timesteps increase in increments of z, from x to y, i.e. it generates the sequece x,x+z,x+2z,...,y. If y-x is not a multiple of z, then similar to the way a for loop operates, the last value will be one that does not exceed y. For any current timestep, the next timestep -in the sequence is returned. Thus if stagger(1000,2000,100) is used +in the sequence is returned. Thus if stride(1000,2000,100) is used in a variable by the "dump_modify every"_dump_modify.html command, it will generate the sequence of output timesteps: 1000,1100,1200, ... ,1900,2000 :pre +The stride2(x,y,z,a,b,c) function is similar to the stride() function +except it generates two sets of strided timesteps, one at a coarser +level and one at a finer level. Thus it is useful for debugging, +e.g. to produce output every timestep at the point in simulation when +a problem occurs. X,y >= 0 and z > 0 and x <= y are required, as are +a,b >= 0 and c > 0 and a < b. Also, a >= x and b <= y are required so +that the second stride is inside the first. The generated timesteps +increase in increments of z, starting at x, until a is reached. At +that point the timestep increases in increments of c, from a to b, +then after b, increments by z are resumed until y is reached. For any +current timestep, the next timestep in the sequence is returned. Thus +if stride(1000,2000,100,1350,1360,1) is used in a variable by the +"dump_modify every"_dump_modify.html command, it will generate the +sequence of output timesteps: + +1000,1100,1200,1300,1350,1351,1352, ... 1359,1360,1400,1500, ... ,2000 :pre + The vdisplace(x,y) function takes 2 arguments: x = value0 and y = velocity, and uses the elapsed time to change the value by a linear displacement due to the applied velocity over the course of a run,