# vim:ft=plumed

arg1: READ FILE=arg.in VALUES=arg IGNORE_TIME

BF_LEGENDRE ...
 ORDER=20
 MINIMUM=-4.0
 MAXIMUM=4.0
 LABEL=bf
 DEBUG_INFO
 SCALED
... BF_LEGENDRE

bf_t1: TD_UNIFORM   MINIMA=-4.0     MAXIMA=4.0
bf_t2: TD_GAUSSIAN  CENTER1=0.0     SIGMA1=0.5
bf_t3: TD_GAUSSIAN  CENTER1=-2.0    SIGMA1=0.5
bf_t4: TD_GAUSSIAN  CENTER1=+2.0    SIGMA1=0.5
bf_t5: TD_GAUSSIAN  CENTER1=+0.333  SIGMA1=0.5

VES_OUTPUT_BASISFUNCTIONS ...
 BASIS_FUNCTIONS=bf
 GRID_BINS=300
 TARGET_DISTRIBUTION1=bf_t1
 TARGET_DISTRIBUTION2=bf_t2
 TARGET_DISTRIBUTION3=bf_t3
 TARGET_DISTRIBUTION4=bf_t4
 TARGET_DISTRIBUTION5=bf_t5
 FORMAT_VALUES_DERIVS=%13.6f
 FORMAT_TARGETDIST_AVERAGES=%13.6f
... VES_OUTPUT_BASISFUNCTIONS

VES_OUTPUT_BASISFUNCTIONS ...
 BASIS_FUNCTIONS=bf
 GRID_BINS=300
 FORMAT_VALUES_DERIVS=%13.5f
 FILE_VALUES=/dev/null
 FILE_DERIVS=bf.derivs-numerical.data
 FILE_TARGETDIST_AVERAGES=/dev/null
 NUMERICAL_DERIVATIVES
... VES_OUTPUT_BASISFUNCTIONS

VES_OUTPUT_BASISFUNCTIONS ...
 BASIS_FUNCTIONS=bf
 GRID_BINS=400
 GRID_MIN=-5.0
 GRID_MAX=+5.0
 FORMAT_VALUES_DERIVS=%13.6f
 FORMAT_TARGETDIST_AVERAGES=%13.6f
 FILE_VALUES=bf.values-outside.data
 FILE_DERIVS=bf.derivs-outside.data
 FILE_TARGETDIST_AVERAGES=/dev/null
... VES_OUTPUT_BASISFUNCTIONS


BF_LEGENDRE ...
 ORDER=20
 MINIMUM=-6.5
 MAXIMUM=1.5
 LABEL=bf2
 DEBUG_INFO
 SCALED
... BF_LEGENDRE

bf2_t1: TD_UNIFORM   MINIMA=-6.5     MAXIMA=1.5
bf2_t2: TD_GAUSSIAN  CENTER1=-2.5    SIGMA1=0.5
bf2_t3: TD_GAUSSIAN  CENTER1=-4.5    SIGMA1=0.5
bf2_t4: TD_GAUSSIAN  CENTER1=-0.5    SIGMA1=0.5
bf2_t5: TD_GAUSSIAN  CENTER1=-2.167  SIGMA1=0.5

VES_OUTPUT_BASISFUNCTIONS ...
 BASIS_FUNCTIONS=bf2
 GRID_BINS=300
 TARGET_DISTRIBUTION1=bf2_t1
 TARGET_DISTRIBUTION2=bf2_t2
 TARGET_DISTRIBUTION3=bf2_t3
 TARGET_DISTRIBUTION4=bf2_t4
 TARGET_DISTRIBUTION5=bf2_t5
 FORMAT_VALUES_DERIVS=%13.6f
 FORMAT_TARGETDIST_AVERAGES=%13.6f
... VES_OUTPUT_BASISFUNCTIONS



# This is to test analytical equations versus numerical 
# integration for the uniform distribution
VES_OUTPUT_BASISFUNCTIONS ...
 BASIS_FUNCTIONS=bf2
 GRID_BINS=300
 FORMAT_TARGETDIST_AVERAGES=%13.6f
 FILE_VALUES=/dev/null
 FILE_DERIVS=/dev/null
 FILE_TARGETDIST_AVERAGES=bf2.uniform-analytical.data
... VES_OUTPUT_BASISFUNCTIONS

BF_LEGENDRE ...
 ORDER=20
 MINIMUM=-6.5
 MAXIMUM=1.5
 LABEL=bf2n
 DEBUG_INFO
 SCALED
 NUMERICAL_INTEGRALS
... BF_LEGENDRE

VES_OUTPUT_BASISFUNCTIONS ...
 BASIS_FUNCTIONS=bf2n
 GRID_BINS=300
 FORMAT_TARGETDIST_AVERAGES=%13.6f
 FILE_VALUES=/dev/null
 FILE_DERIVS=/dev/null
 FILE_TARGETDIST_AVERAGES=bf2.uniform-numerical.data
... VES_OUTPUT_BASISFUNCTIONS

